11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione
TL;DR: 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (CAS 2111-07-1) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4R,5S,6S,9S,10S,13R,18S)-6-acetyl-5,18-dimethyl-3-oxapentacyclo[8.8.0.02,4.05,9.013,18]octadecan-15-one
Also Known As: 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione, 11,12-Epoxypregnane-3,20-dione, J2.793.072G, 11, A,12
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 2111-07-1 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1([C@@H]3[C@@H](O3)[C@H]4[C@H]2CC[C@H]5[C@@]4(CCC(=O)C5)C)C |
| InChIKey | ZUTUSHGUIOPVJS-UICWUCEBSA-N |
Product Overview
11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (CAS 2111-07-1), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: (1S,2S,4R,5S,6S,9S,10S,13R,18S)-6-acetyl-5,18-dimethyl-3-oxapentacyclo[8.8.0.02,4.05,9.013,18]octadecan-15-one.
Chemical Property Profile of 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione
Property Insights of 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione
The XLogP value of 3.1 indicates that 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.7 Ų, 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione 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 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione?
The CAS number of 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione is 2111-07-1.
What is the molecular formula of 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione?
The molecular formula of 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione is C21H30O3.
What is the molecular weight of 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione?
The molecular weight of 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione is 330.22 g/mol.
Where can I buy 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione?
You can request a quote for 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.