(7alpha,17beta)-3-Hydroxy-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estra-1,3,5(10)-trien-17-yl acetate | CAS No. 875573-69-6

(7alpha,17beta)-3-Hydroxy-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estra-1,3,5(10)-trien-17-yl acetate

Basic Information

CAS Number

875573-69-6

Molecular Formula

C34H49F5O3S

Molecular Weight

632.82 g/mol

AD

Basic Physical Properties

Density

1.19

CC(O[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](CCCCCCCCCSCCCC(F)(F)C(F)(F)F)CC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)=O

InChI

InChI=1S/C34H49F5O3S/c1-23(40)42-30-15-14-29-31-24(21-25-22-26(41)12-13-27(25)28(31)16-18-32(29,30)2)11-8-6-4-3-5-7-9-19-43-20-10-17-33(35,36)34(37,38)39/h12-13,22,24,28-31,41H,3-11,14-21H2,1-2H3/t24-,28-,29+,30+,31-,32+/m1/s1

InChIKey

NNWTWRVZCKFESO-YVAHLQCFSA-N

LogP

10.237899999999993

Topological Polar Surface Area

46.53 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

885

Synonyms & References

English

  • (7a,17b)-7-(9-((4,4,5,5,5-Pentafluoropentyl)thio)nonyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate
  • (7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol 17-acetate
  • (7R,8R,9S,13S,14S,17S)-3-hydroxy-13-Methyl-7-(4-(4,4,5,5,5-pentafluoropentylthio)butyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate
  • (7alpha,17beta)-7-[9-(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estra-1,3,5(10)- triene-3-diol-17oxyethyl
  • (7α,17β)-7-[9-(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estra- 1,3,5(10)- triene-3-diol -17oxyethyl
  • ESTRA-1,3,5(10)-TRIENE-3,17-DIOL,7-[9-[(4,4,5,5,5-PENTAFLUOROPENTYL)THIO]NONYL]-,17-ACETATE,(7A,17B)-
  • (7R,8R,9S,13S,14S,17S)-3-Hydroxy-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate
  • C

MDL Number

MFCD18071517

FAQ

What is (7alpha,17beta)-3-Hydroxy-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estra-1,3,5(10)-trien-17-yl acetate (CAS: 875573-69-6)?

This compound is a steroidal ester with a unique structure featuring a pentfluoropentyl sulfanyl group. It is a complex organic molecule used primarily in synthetic chemistry and pharmaceutical research.

What are the main uses of (7alpha,17beta)-3-Hydroxy-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estra-1,3,5(10)-trien-17-yl acetate (CAS: 875573-69-6)?

This compound is used in the development of pharmaceuticals and for research purposes, particularly in steroid chemistry and drug synthesis.

Is (7alpha,17beta)-3-Hydroxy-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estra-1,3,5(10)-trien-17-yl acetate (CAS: 875573-69-6) safe?

The compound is generally stable under normal conditions but requires specific handling to avoid skin and respiratory irritation. Protective measures include wearing gloves and a mask during handling.

How should (7alpha,17beta)-3-Hydroxy-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estra-1,3,5(10)-trien-17-yl acetate (CAS: 875573-69-6) be stored?

Store in a cool, dry place, away from direct sunlight. Use a tightly sealed container and keep the temperature below 30°C. Avoid contact with incompatible materials such as oxidizers and water.

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