21-溴乙酰氧基孕酮
TL;DR: 21-溴乙酰氧基孕酮 (CAS 40790-21-4) 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.
21-溴乙酰氧基孕酮
[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate
Also Known As: 21-Bromoacetoxyprogesterone, 21-Brap, 3,20-dioxopregn-4-en-21-yl bromoacetate, Pregn-4-ene-3,20-dione, 21-((bromoacetyl)oxy)-, Pregn-4-ene-3,20-dione,21-[(bromoacetyl)oxy]- (9CI)
| Molecular Formula | C23H31BrO4 |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.14056 |
| Heavy Atoms | 28 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 40790-21-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COC(=O)CBr)CCC4=CC(=O)CC[C@]34C |
| InChIKey | MTUSCDYDTPSRHE-XAFQUIJGSA-N |
Product Overview
21-溴乙酰氧基孕酮 (CAS 40790-21-4), with molecular formula C23H31BrO4 and molecular weight 450.14 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate.
Chemical Property Profile of 21-溴乙酰氧基孕酮
Property Insights of 21-溴乙酰氧基孕酮
The XLogP value of 3.9 indicates that 21-溴乙酰氧基孕酮 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 21-溴乙酰氧基孕酮. Following Lipinski's Rule of Five, 21-溴乙酰氧基孕酮 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 21-溴乙酰氧基孕酮?
The CAS number of 21-溴乙酰氧基孕酮 is 40790-21-4.
What is the molecular formula of 21-溴乙酰氧基孕酮?
The molecular formula of 21-溴乙酰氧基孕酮 is C23H31BrO4.
What is the molecular weight of 21-溴乙酰氧基孕酮?
The molecular weight of 21-溴乙酰氧基孕酮 is 450.14 g/mol.
Where can I buy 21-溴乙酰氧基孕酮?
You can request a quote for 21-溴乙酰氧基孕酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-溴乙酰氧基孕酮?
Yes, KEHONG BIO provides custom synthesis services for 21-溴乙酰氧基孕酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.