11alpha-Bromoacetoxyprogesterone
TL;DR: 11alpha-Bromoacetoxyprogesterone (CAS 40788-61-2) is a chemical compound with molecular formula C23H31BrO4 and molecular weight 450.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] 2-bromoacetate
Also Known As: 11alpha-Bromoacetoxyprogesterone, 11-alpha-(Bromoacetoxy)progesterone, CGP 10945, 11 alpha-bromoacetoxyprogesterone, 11-
| Molecular Formula | C23H31BrO4 |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.14056 |
| Heavy Atoms | 28 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 40788-61-2 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)OC(=O)CBr)C |
| InChIKey | NKQNWVOTGFLIDE-TZEHSYAMSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11alpha-Bromoacetoxyprogesterone (CAS 40788-61-2), with molecular formula C23H31BrO4 and molecular weight 450.14 g/mol. IUPAC: [(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] 2-bromoacetate.
Chemical Property Profile of 11alpha-Bromoacetoxyprogesterone
Property Insights of 11alpha-Bromoacetoxyprogesterone
The XLogP value of 3.7 indicates that 11alpha-Bromoacetoxyprogesterone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 11alpha-Bromoacetoxyprogesterone. Following Lipinski's Rule of Five, 11alpha-Bromoacetoxyprogesterone 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 11alpha-Bromoacetoxyprogesterone?
The CAS number of 11alpha-Bromoacetoxyprogesterone is 40788-61-2.
What is the molecular formula of 11alpha-Bromoacetoxyprogesterone?
The molecular formula of 11alpha-Bromoacetoxyprogesterone is C23H31BrO4.
What is the molecular weight of 11alpha-Bromoacetoxyprogesterone?
The molecular weight of 11alpha-Bromoacetoxyprogesterone is 450.14 g/mol.
Where can I buy 11alpha-Bromoacetoxyprogesterone?
You can request a quote for 11alpha-Bromoacetoxyprogesterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11alpha-Bromoacetoxyprogesterone?
Yes, KEHONG BIO provides custom synthesis services for 11alpha-Bromoacetoxyprogesterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.