3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one
TL;DR: 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one (CAS 1635-20-7) is a chemical compound with molecular formula C22H36O4 and molecular weight 364.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3S,5S,8S,9S,10S,11R,13S,14S,16R,17R)-3,11,17-trihydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one, CDS1_000802, 3,11,17-Trihydroxy-16-methylpregnan-20-one, A,11, A,17-Trihydroxy-16
| Molecular Formula | C22H36O4 |
|---|---|
| Molecular Weight | 364.26 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.26135 |
| Heavy Atoms | 26 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 1635-20-7 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3[C@@H](C[C@@]2([C@]1(C(=O)C)O)C)O)C)O |
| InChIKey | OACVNSOUPWYEBL-JZOCASSUSA-N |
Product Overview
3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one (CAS 1635-20-7), with molecular formula C22H36O4 and molecular weight 364.26 g/mol. IUPAC: 1-[(3S,5S,8S,9S,10S,11R,13S,14S,16R,17R)-3,11,17-trihydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one
Property Insights of 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one
The XLogP value of 3.0 indicates that 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one. Following Lipinski's Rule of Five, 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one?
The CAS number of 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one is 1635-20-7.
What is the molecular formula of 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one?
The molecular formula of 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one is C22H36O4.
What is the molecular weight of 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one?
The molecular weight of 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one is 364.26 g/mol.
Where can I buy 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one?
You can request a quote for 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.