Androsterone 3-benzoate
TL;DR: Androsterone 3-benzoate (CAS 5953-69-5) is a chemical compound with molecular formula C26H34O3 and molecular weight 394.25 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] benzoate
Also Known As: Androsterone, benzoate, Androsterone 3-benzoate, Androstanolon-propionat, 17-Oxoandrostan-3-yl benzoate, 17-Oxo-5alpha-androstan-3alpha-yl benzoate
| Molecular Formula | C26H34O3 |
|---|---|
| Molecular Weight | 394.25 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.2508 |
| Heavy Atoms | 29 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 5953-69-5 |
|---|---|
| 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)C5=CC=CC=C5 |
| InChIKey | KNDUBESZKGHTSA-CJVRWNGOSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Androsterone 3-benzoate (CAS 5953-69-5), with molecular formula C26H34O3 and molecular weight 394.25 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] benzoate.
Chemical Property Profile of Androsterone 3-benzoate
Property Insights of Androsterone 3-benzoate
The XLogP value of 5.9 indicates that Androsterone 3-benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Androsterone 3-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Androsterone 3-benzoate 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 Androsterone 3-benzoate?
The CAS number of Androsterone 3-benzoate is 5953-69-5.
What is the molecular formula of Androsterone 3-benzoate?
The molecular formula of Androsterone 3-benzoate is C26H34O3.
What is the molecular weight of Androsterone 3-benzoate?
The molecular weight of Androsterone 3-benzoate is 394.25 g/mol.
Where can I buy Androsterone 3-benzoate?
You can request a quote for Androsterone 3-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Androsterone 3-benzoate?
Yes, KEHONG BIO provides custom synthesis services for Androsterone 3-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.