(13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one
TL;DR: (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one (CAS 112644-23-2) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,12S,13R)-6-hydroxy-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-17-en-16-one
Also Known As: Sid 770815, KST-1A0610, 20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one, (13xi,17xi)-20,21-dihydroxy-18,20-epoxypregn-4-en-3-one, 18,20-Cyclo-20,21-dihydroxy-4-pregnen-3-one
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 112644-23-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CCC45[C@H]3CCC4C(OC5)(CO)O |
| InChIKey | GPYDBMQOMJCWRO-WSINVTRSSA-N |
Product Overview
(13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one (CAS 112644-23-2), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: (1R,2S,12S,13R)-6-hydroxy-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-17-en-16-one.
Chemical Property Profile of (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one
Property Insights of (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one. Following Lipinski's Rule of Five, (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one has 2 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 (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one?
The CAS number of (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one is 112644-23-2.
What is the molecular formula of (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one?
The molecular formula of (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one is C21H30O4.
What is the molecular weight of (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one?
The molecular weight of (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one is 346.21 g/mol.
Where can I buy (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one?
You can request a quote for (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for (13xi,17xi)-20,21-Dihydroxy-18,20-epoxypregn-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.