1,4,6-Androstatrien-3-one-17 beta-ol
TL;DR: 1,4,6-Androstatrien-3-one-17 beta-ol (CAS 4075-12-1) is a chemical compound with molecular formula C19H24O2 and molecular weight 284.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: Androsta-1,4,6-trien-3-one, 1,4,6-Androstatrien-3-one-17beta-ol, 1,4,6-Androstatriene-17b-ol-3-one, 17beta-hydroxyandrosta-1,4,6-trien-3-one, 17-Hydroxyandrosta-1,4,6-trien-3-one
| Molecular Formula | C19H24O2 |
|---|---|
| Molecular Weight | 284.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.17764 |
| Heavy Atoms | 21 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 4075-12-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C=CC4=CC(=O)C=C[C@]34C |
| InChIKey | WGFQJPRCLLMHRT-DYKIIFRCSA-N |
Product Overview
1,4,6-Androstatrien-3-one-17 beta-ol (CAS 4075-12-1), with molecular formula C19H24O2 and molecular weight 284.18 g/mol. IUPAC: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 1,4,6-Androstatrien-3-one-17 beta-ol
Property Insights of 1,4,6-Androstatrien-3-one-17 beta-ol
The XLogP value of 3.3 indicates that 1,4,6-Androstatrien-3-one-17 beta-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1,4,6-Androstatrien-3-one-17 beta-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,6-Androstatrien-3-one-17 beta-ol 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 1,4,6-Androstatrien-3-one-17 beta-ol?
The CAS number of 1,4,6-Androstatrien-3-one-17 beta-ol is 4075-12-1.
What is the molecular formula of 1,4,6-Androstatrien-3-one-17 beta-ol?
The molecular formula of 1,4,6-Androstatrien-3-one-17 beta-ol is C19H24O2.
What is the molecular weight of 1,4,6-Androstatrien-3-one-17 beta-ol?
The molecular weight of 1,4,6-Androstatrien-3-one-17 beta-ol is 284.18 g/mol.
Where can I buy 1,4,6-Androstatrien-3-one-17 beta-ol?
You can request a quote for 1,4,6-Androstatrien-3-one-17 beta-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,6-Androstatrien-3-one-17 beta-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,4,6-Androstatrien-3-one-17 beta-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.