Epoxypregn-4-ene-3,20-dione, (11beta,12beta)-
TL;DR: Epoxypregn-4-ene-3,20-dione, (11beta,12beta)- (CAS 1099-20-3) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4S,5S,6S,9S,10S,18R)-6-acetyl-5,18-dimethyl-3-oxapentacyclo[8.8.0.02,4.05,9.013,18]octadec-13-en-15-one
Also Known As: 11beta,12beta-Epoxyprogesterone, 11, A,12, A-epoxyprogesterone, Epoxypregn-4-ene-3,20-dione, (11beta,12beta)-
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 1099-20-3 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1([C@H]3[C@H](O3)[C@H]4[C@H]2CCC5=CC(=O)CC[C@]45C)C |
| InChIKey | WHJDKVBASZLKNZ-LBZTYHDASA-N |
Product Overview
Epoxypregn-4-ene-3,20-dione, (11beta,12beta)- (CAS 1099-20-3), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: (1S,2R,4S,5S,6S,9S,10S,18R)-6-acetyl-5,18-dimethyl-3-oxapentacyclo[8.8.0.02,4.05,9.013,18]octadec-13-en-15-one.
Chemical Property Profile of Epoxypregn-4-ene-3,20-dione, (11beta,12beta)-
Property Insights of Epoxypregn-4-ene-3,20-dione, (11beta,12beta)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epoxypregn-4-ene-3,20-dione, (11beta,12beta)-. With a topological polar surface area (TPSA) of 46.7 Ų, Epoxypregn-4-ene-3,20-dione, (11beta,12beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Epoxypregn-4-ene-3,20-dione, (11beta,12beta)- has 0 hydrogen bond donor(s) and 3 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 Epoxypregn-4-ene-3,20-dione, (11beta,12beta)-?
The CAS number of Epoxypregn-4-ene-3,20-dione, (11beta,12beta)- is 1099-20-3.
What is the molecular formula of Epoxypregn-4-ene-3,20-dione, (11beta,12beta)-?
The molecular formula of Epoxypregn-4-ene-3,20-dione, (11beta,12beta)- is C21H28O3.
What is the molecular weight of Epoxypregn-4-ene-3,20-dione, (11beta,12beta)-?
The molecular weight of Epoxypregn-4-ene-3,20-dione, (11beta,12beta)- is 328.20 g/mol.
Where can I buy Epoxypregn-4-ene-3,20-dione, (11beta,12beta)-?
You can request a quote for Epoxypregn-4-ene-3,20-dione, (11beta,12beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epoxypregn-4-ene-3,20-dione, (11beta,12beta)-?
Yes, KEHONG BIO provides custom synthesis services for Epoxypregn-4-ene-3,20-dione, (11beta,12beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.