Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester
TL;DR: Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester (CAS 37002-70-3) is a chemical compound with molecular formula C22H28O4 and molecular weight 356.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene]acetate
Also Known As: Methyl 3,11-dioxopregna-4,17-dien-21-oate, Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester
| Molecular Formula | C22H28O4 |
|---|---|
| Molecular Weight | 356.20 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.19876 |
| Heavy Atoms | 26 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 37002-70-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=CC(=O)OC)C |
| InChIKey | MVLYYRYIEZOWIZ-RGBOINFLSA-N |
Product Overview
Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester (CAS 37002-70-3), with molecular formula C22H28O4 and molecular weight 356.20 g/mol. IUPAC: methyl 2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene]acetate.
Chemical Property Profile of Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester
Property Insights of Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester. Following Lipinski's Rule of Five, Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester has 0 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 Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester?
The CAS number of Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester is 37002-70-3.
What is the molecular formula of Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester?
The molecular formula of Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester is C22H28O4.
What is the molecular weight of Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester?
The molecular weight of Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester is 356.20 g/mol.
Where can I buy Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester?
You can request a quote for Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.