3-Hydroxyandrostan-17-yl benzoate
TL;DR: 3-Hydroxyandrostan-17-yl benzoate (CAS 67055-62-3) is a chemical compound with molecular formula C26H36O3 and molecular weight 396.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate
Also Known As: 3-hydroxyandrostan-17-yl benzoate, KST-1A7384, (3, A,5, A,17
| Molecular Formula | C26H36O3 |
|---|---|
| Molecular Weight | 396.27 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.26645 |
| Heavy Atoms | 29 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 67055-62-3 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)C5=CC=CC=C5)C)O |
| InChIKey | DIYGODQITXZLQE-SSHVMUOYSA-N |
Product Overview
3-Hydroxyandrostan-17-yl benzoate (CAS 67055-62-3), with molecular formula C26H36O3 and molecular weight 396.27 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate.
Chemical Property Profile of 3-Hydroxyandrostan-17-yl benzoate
Property Insights of 3-Hydroxyandrostan-17-yl benzoate
The XLogP value of 6.4 indicates that 3-Hydroxyandrostan-17-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Hydroxyandrostan-17-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxyandrostan-17-yl benzoate has 1 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-Hydroxyandrostan-17-yl benzoate?
The CAS number of 3-Hydroxyandrostan-17-yl benzoate is 67055-62-3.
What is the molecular formula of 3-Hydroxyandrostan-17-yl benzoate?
The molecular formula of 3-Hydroxyandrostan-17-yl benzoate is C26H36O3.
What is the molecular weight of 3-Hydroxyandrostan-17-yl benzoate?
The molecular weight of 3-Hydroxyandrostan-17-yl benzoate is 396.27 g/mol.
Where can I buy 3-Hydroxyandrostan-17-yl benzoate?
You can request a quote for 3-Hydroxyandrostan-17-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyandrostan-17-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyandrostan-17-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.