16alpha-Bromoacetoxyprogesterone
TL;DR: 16alpha-Bromoacetoxyprogesterone (CAS 51541-48-1) 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,13S,14S,16R,17R)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] 2-bromoacetate
Also Known As: 16alpha-Bromoacetoxyprogesterone, 16-alpha-(Bromoacetoxy)progesterone, CGP 10944, 16 alpha-bromoacetoxyprogesterone, 3,20-Dioxopregn-4-en-16-yl bromoacetate
| Molecular Formula | C23H31BrO4 |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 4.1 |
| 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 | 51541-48-1 |
|---|---|
| SMILES | CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)CBr |
| InChIKey | OSCUNNXAVGTHCW-DCCLSMNISA-N |
Product Overview
16alpha-Bromoacetoxyprogesterone (CAS 51541-48-1), with molecular formula C23H31BrO4 and molecular weight 450.14 g/mol. IUPAC: [(8S,9S,10R,13S,14S,16R,17R)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] 2-bromoacetate.
Chemical Property Profile of 16alpha-Bromoacetoxyprogesterone
Property Insights of 16alpha-Bromoacetoxyprogesterone
The XLogP value of 4.1 indicates that 16alpha-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 16alpha-Bromoacetoxyprogesterone. Following Lipinski's Rule of Five, 16alpha-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 16alpha-Bromoacetoxyprogesterone?
The CAS number of 16alpha-Bromoacetoxyprogesterone is 51541-48-1.
What is the molecular formula of 16alpha-Bromoacetoxyprogesterone?
The molecular formula of 16alpha-Bromoacetoxyprogesterone is C23H31BrO4.
What is the molecular weight of 16alpha-Bromoacetoxyprogesterone?
The molecular weight of 16alpha-Bromoacetoxyprogesterone is 450.14 g/mol.
Where can I buy 16alpha-Bromoacetoxyprogesterone?
You can request a quote for 16alpha-Bromoacetoxyprogesterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16alpha-Bromoacetoxyprogesterone?
Yes, KEHONG BIO provides custom synthesis services for 16alpha-Bromoacetoxyprogesterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.