Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)-
TL;DR: Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)- (CAS 1474-15-3) 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 (2Z)-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(20)-dien-21-oate (Z)-, J2.792.290B, methyl (17Z)-3,11-dioxopregna-4,17-dien-21-oate, Pregna-4, 3,11-dioxo-, methyl ester, (17Z)-, (17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester
| Molecular Formula | C22H28O4 |
|---|---|
| Molecular Weight | 356.20 g/mol |
| LogP | 3.7967 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.19876 |
| Heavy Atoms | 26 |
| Complexity | 745.2412 |
Chemical Identifiers
| CAS Number | 1474-15-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]\4([C@H]3CC/C4=C/C(=O)OC)C |
Product Overview
Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)- (CAS 1474-15-3), with molecular formula C22H28O4 and molecular weight 356.20 g/mol. IUPAC: methyl (2Z)-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 Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)-
Property Insights of Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)-
The XLogP value of 3.7967 indicates that Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)-. Following Lipinski's Rule of Five, Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)- 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 Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)-?
The CAS number of Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)- is 1474-15-3.
What is the molecular formula of Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)-?
The molecular formula of Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)- is C22H28O4.
What is the molecular weight of Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)-?
The molecular weight of Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)- is 356.20 g/mol.
Where can I buy Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)-?
You can request a quote for Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)-?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.