3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione
TL;DR: 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione (CAS 337-67-7) is a chemical compound with molecular formula C21H28O4 and molecular weight 344.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,9S,12S,13S,16S,18S)-16-hydroxy-9,13-dimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-7-ene-6,11-dione
Also Known As: 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione, 3-beta,16-beta-Dihydroxy-11-oxo-5-alpha-pregn-17(20)-en-21-oic acid, gamma-lactone, 5-alpha-Pregn-17(20)-en-21-oic acid, 3-beta,16-beta-dihydroxy-11-oxo-, gamma-lactone, Pregn-17(20)-en-21-oic acid, 3,16-dihydroxy-11-oxo-, gamma-lactone, (3-beta,5-alpha,16-beta)-, 3beta-Hydroxy-5alpha,16beta-16,21-epoxypregn-17-ene-11,21-dione
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 337-67-7 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3C[C@H]5C4=CC(=O)O5)C)O |
| InChIKey | RZZGDMCXYZWMKR-NFTCQYMWSA-N |
Product Overview
3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione (CAS 337-67-7), with molecular formula C21H28O4 and molecular weight 344.20 g/mol. IUPAC: (1S,2S,4S,9S,12S,13S,16S,18S)-16-hydroxy-9,13-dimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-7-ene-6,11-dione.
Chemical Property Profile of 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione
Property Insights of 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione. Following Lipinski's Rule of Five, 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione has 1 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 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione?
The CAS number of 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione is 337-67-7.
What is the molecular formula of 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione?
The molecular formula of 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione is C21H28O4.
What is the molecular weight of 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione?
The molecular weight of 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione is 344.20 g/mol.
Where can I buy 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione?
You can request a quote for 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.