3-Spirooxiranylpregnan-20-ol
TL;DR: 3-Spirooxiranylpregnan-20-ol (CAS 96087-24-0) is a chemical compound with molecular formula C22H36O2 and molecular weight 332.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]-17-yl]ethanol
Also Known As: 3-SPOPO, 3-Spirooxiranylpregnan-20-ol, 3beta-Spiro-oxiranyl-5alpha-pregnan-20beta-ol, (1R)-1-[(1S,2'S,3aS,3bR,5aS,9aS,9bS,11aS)-9a,11a-Dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-7,2'-oxiran]-1-yl]ethan-1-ol, (1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]-17-yl]ethanol
| Molecular Formula | C22H36O2 |
|---|---|
| Molecular Weight | 332.27 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.27155 |
| Heavy Atoms | 24 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 96087-24-0 |
|---|---|
| SMILES | C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@]5(C4)CO5)C)C)O |
| InChIKey | TXTPYCUXAOIEQA-RRXWDWNBSA-N |
Product Overview
3-Spirooxiranylpregnan-20-ol (CAS 96087-24-0), with molecular formula C22H36O2 and molecular weight 332.27 g/mol. IUPAC: (1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]-17-yl]ethanol.
Chemical Property Profile of 3-Spirooxiranylpregnan-20-ol
Property Insights of 3-Spirooxiranylpregnan-20-ol
The XLogP value of 5.3 indicates that 3-Spirooxiranylpregnan-20-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 3-Spirooxiranylpregnan-20-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Spirooxiranylpregnan-20-ol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Spirooxiranylpregnan-20-ol?
The CAS number of 3-Spirooxiranylpregnan-20-ol is 96087-24-0.
What is the molecular formula of 3-Spirooxiranylpregnan-20-ol?
The molecular formula of 3-Spirooxiranylpregnan-20-ol is C22H36O2.
What is the molecular weight of 3-Spirooxiranylpregnan-20-ol?
The molecular weight of 3-Spirooxiranylpregnan-20-ol is 332.27 g/mol.
Where can I buy 3-Spirooxiranylpregnan-20-ol?
You can request a quote for 3-Spirooxiranylpregnan-20-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Spirooxiranylpregnan-20-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Spirooxiranylpregnan-20-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.