Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate
TL;DR: Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate (CAS 5415-46-3) is a chemical compound with molecular formula C22H27BrO4 and molecular weight 434.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-(2-bromo-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 (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate, methyl (2Z)-2-(2-bromo-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene)acetate
| Molecular Formula | C22H27BrO4 |
|---|---|
| Molecular Weight | 434.11 g/mol |
| LogP | 4.1701 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 434.10928 |
| Heavy Atoms | 27 |
| Complexity | 781.1823 |
Chemical Identifiers
| CAS Number | 5415-46-3 |
|---|---|
| SMILES | CC12CC(C(=O)C=C1CCC3C2C(=O)CC\4(C3CC/C4=C/C(=O)OC)C)Br |
Product Overview
Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate (CAS 5415-46-3), with molecular formula C22H27BrO4 and molecular weight 434.11 g/mol. IUPAC: methyl (2Z)-2-(2-bromo-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 (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate
Property Insights of Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate
The XLogP value of 4.1701 indicates that Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate 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 (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate. Following Lipinski's Rule of Five, Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate 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 (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate?
The CAS number of Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate is 5415-46-3.
What is the molecular formula of Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate?
The molecular formula of Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate is C22H27BrO4.
What is the molecular weight of Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate?
The molecular weight of Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate is 434.11 g/mol.
Where can I buy Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate?
You can request a quote for Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (17Z)-2-bromo-3,11-dioxopregna-4,17-dien-21-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.