17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
TL;DR: 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione (CAS 61339-43-3) 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.
(2S,10S,11S,13R,14R,15S)-14-bromo-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
Also Known As: EINECS 262-724-5, 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione, 17-Bromo-21-hydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione, (9xi)-17-Bromo-21-hydroxy-16alpha-methyl-9,11-epoxypregna-1,4-diene-3,20-dione
| Molecular Formula | C22H27BrO4 |
|---|---|
| Molecular Weight | 434.11 g/mol |
| LogP | 3.3667 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 434.10928 |
| Heavy Atoms | 27 |
| Complexity | 817.13043 |
Chemical Identifiers
| CAS Number | 61339-43-3 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C35C(O5)C[C@@]2([C@]1(C(=O)CO)Br)C)C |
Product Overview
17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione (CAS 61339-43-3), with molecular formula C22H27BrO4 and molecular weight 434.11 g/mol. IUPAC: (2S,10S,11S,13R,14R,15S)-14-bromo-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one.
Chemical Property Profile of 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
Property Insights of 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
The XLogP value of 3.3667 indicates that 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione. Following Lipinski's Rule of Five, 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione has 1 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 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione?
The CAS number of 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione is 61339-43-3.
What is the molecular formula of 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione?
The molecular formula of 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione is C22H27BrO4.
What is the molecular weight of 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione?
The molecular weight of 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione is 434.11 g/mol.
Where can I buy 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione?
You can request a quote for 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-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 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.