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Quinestrol

CAT: 1596-AR-Q03881-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-Q03881-02Size:25 Units
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CAS Number
152-43-2
Molecular Formula
C25H32O2
Molecular Weight
364.53
API Name
Quinestrol

Chemical Information

Quinestrol

Quinestrol is a 17-hydroxy steroid and a terminal acetylenic compound. It has a role as a xenoestrogen. It is functionally related to a 17beta-estradiol.

CAS Number152-43-2
PubChem CID9046
IUPAC Name(8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Molecular FormulaC25H32O2
Molecular Weight364.5
XLogP5.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity613
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC5CCCC5
InChI
InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1
InChIKey
PWZUUYSISTUNDW-VAFBSOEGSA-N
Chemical Structure
2D Structure
2D structure of Quinestrol
CAS: 152-43-2
CID: 9046
Formula: C25H32O2
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass364.240230259
Monoisotopic Mass364.240230259
Topological Polar Surface Area29.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T0040-01Quinestrol
A17281-50Quinestrol 50mg
A17281-200Quinestrol 200mg
HY-B1012R-01Quinestrol (Standard)
A17281-100Quinestrol 100mg

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