17-Bromoacetoxy-4-androsten-3-one
TL;DR: 17-Bromoacetoxy-4-androsten-3-one (CAS 4588-81-2) is a chemical compound with molecular formula C21H29BrO3 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-bromoacetate
Also Known As: 17-Baao, Testosterone, bromoacetate, 17-Bromoacetoxy-4-androsten-3-one, 3-Oxoandrost-4-en-17-yl bromoacetate, Androst-4-en-3-one, 17-((bromoacetyl)oxy)-, (17beta)-
| Molecular Formula | C21H29BrO3 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.13 |
| Heavy Atoms | 25 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 4588-81-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2OC(=O)CBr)CCC4=CC(=O)CC[C@]34C |
| InChIKey | PALQPHIJBDKABO-RVPRXVRWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17-Bromoacetoxy-4-androsten-3-one (CAS 4588-81-2), with molecular formula C21H29BrO3 and molecular weight 408.13 g/mol. IUPAC: [(8R,9S,10R,13S,14S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-bromoacetate.
Chemical Property Profile of 17-Bromoacetoxy-4-androsten-3-one
Property Insights of 17-Bromoacetoxy-4-androsten-3-one
The XLogP value of 4.7 indicates that 17-Bromoacetoxy-4-androsten-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 17-Bromoacetoxy-4-androsten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Bromoacetoxy-4-androsten-3-one has 0 hydrogen bond donor(s) and 3 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-Bromoacetoxy-4-androsten-3-one?
The CAS number of 17-Bromoacetoxy-4-androsten-3-one is 4588-81-2.
What is the molecular formula of 17-Bromoacetoxy-4-androsten-3-one?
The molecular formula of 17-Bromoacetoxy-4-androsten-3-one is C21H29BrO3.
What is the molecular weight of 17-Bromoacetoxy-4-androsten-3-one?
The molecular weight of 17-Bromoacetoxy-4-androsten-3-one is 408.13 g/mol.
Where can I buy 17-Bromoacetoxy-4-androsten-3-one?
You can request a quote for 17-Bromoacetoxy-4-androsten-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Bromoacetoxy-4-androsten-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17-Bromoacetoxy-4-androsten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.