3-Bromoacetoxyandrostan-17-one
TL;DR: 3-Bromoacetoxyandrostan-17-one (CAS 83456-59-1) is a chemical compound with molecular formula C21H31BrO3 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-bromoacetate
Also Known As: BrAnd, 3-Bromoacetoxyandrostan-17-one, 3alpha-Bromoacetoxyandrosterone, 17-Oxoandrostan-3-yl bromoacetate, A-Bromacetoxy-5
| Molecular Formula | C21H31BrO3 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.14566 |
| Heavy Atoms | 25 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 83456-59-1 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OC(=O)CBr |
| InChIKey | MHVSXHSVOGMZQU-DQACUKESSA-N |
Product Overview
3-Bromoacetoxyandrostan-17-one (CAS 83456-59-1), with molecular formula C21H31BrO3 and molecular weight 410.15 g/mol. IUPAC: [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-bromoacetate.
Chemical Property Profile of 3-Bromoacetoxyandrostan-17-one
Property Insights of 3-Bromoacetoxyandrostan-17-one
The XLogP value of 5.1 indicates that 3-Bromoacetoxyandrostan-17-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, 3-Bromoacetoxyandrostan-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromoacetoxyandrostan-17-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Bromoacetoxyandrostan-17-one?
The CAS number of 3-Bromoacetoxyandrostan-17-one is 83456-59-1.
What is the molecular formula of 3-Bromoacetoxyandrostan-17-one?
The molecular formula of 3-Bromoacetoxyandrostan-17-one is C21H31BrO3.
What is the molecular weight of 3-Bromoacetoxyandrostan-17-one?
The molecular weight of 3-Bromoacetoxyandrostan-17-one is 410.15 g/mol.
Where can I buy 3-Bromoacetoxyandrostan-17-one?
You can request a quote for 3-Bromoacetoxyandrostan-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromoacetoxyandrostan-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromoacetoxyandrostan-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.