3-BHADO
TL;DR: 3-BHADO (CAS 2691-68-1) is a chemical compound with molecular formula C19H26O2 and molecular weight 286.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
Also Known As: 3-BHADO, 3-Hydroxyandrosta-5,7-dien-17-one, 3beta-Hydroxy-5,7-androstadien-17-one, Androsta-5,7-dien-17-one,3-hydroxy-, (3b)-, (9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
| Molecular Formula | C19H26O2 |
|---|---|
| Molecular Weight | 286.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.19327 |
| Heavy Atoms | 21 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 2691-68-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3C(=CC=C4[C@@]3(CCC(C4)O)C)[C@@H]1CCC2=O |
| InChIKey | QKVSSSWYCZWEQM-MFHKAADGSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-BHADO (CAS 2691-68-1), with molecular formula C19H26O2 and molecular weight 286.19 g/mol. IUPAC: (9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3-BHADO
Property Insights of 3-BHADO
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-BHADO. With a topological polar surface area (TPSA) of 37.3 Ų, 3-BHADO exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-BHADO has 1 hydrogen bond donor(s) and 2 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 3-BHADO?
The CAS number of 3-BHADO is 2691-68-1.
What is the molecular formula of 3-BHADO?
The molecular formula of 3-BHADO is C19H26O2.
What is the molecular weight of 3-BHADO?
The molecular weight of 3-BHADO is 286.19 g/mol.
Where can I buy 3-BHADO?
You can request a quote for 3-BHADO directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-BHADO?
Yes, KEHONG BIO provides custom synthesis services for 3-BHADO and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.