(5Beta)pregnane-3,11,20-trione
TL;DR: (5Beta)pregnane-3,11,20-trione (CAS 1474-68-6) 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.
(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: Pregnane-3,11,20-trione, 5beta-Pregna-3,11,20-trione, 5-beta-Pregnane-3,11,20-trione, A-pregnane-3,11,20-trione, 5b-pregnane-3,11,20-trione
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 1474-68-6 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C |
| InChIKey | AHRWWYGWQKBKBF-PCHYHQBZSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(5Beta)pregnane-3,11,20-trione (CAS 1474-68-6), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: (5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of (5Beta)pregnane-3,11,20-trione
Property Insights of (5Beta)pregnane-3,11,20-trione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Beta)pregnane-3,11,20-trione. With a topological polar surface area (TPSA) of 51.2 Ų, (5Beta)pregnane-3,11,20-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Beta)pregnane-3,11,20-trione 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 (5Beta)pregnane-3,11,20-trione?
The CAS number of (5Beta)pregnane-3,11,20-trione is 1474-68-6.
What is the molecular formula of (5Beta)pregnane-3,11,20-trione?
The molecular formula of (5Beta)pregnane-3,11,20-trione is C21H30O3.
What is the molecular weight of (5Beta)pregnane-3,11,20-trione?
The molecular weight of (5Beta)pregnane-3,11,20-trione is 330.22 g/mol.
Where can I buy (5Beta)pregnane-3,11,20-trione?
You can request a quote for (5Beta)pregnane-3,11,20-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Beta)pregnane-3,11,20-trione?
Yes, KEHONG BIO provides custom synthesis services for (5Beta)pregnane-3,11,20-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.