3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
TL;DR: 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione (CAS 2394-69-6) is a chemical compound with molecular formula C19H24O3 and molecular weight 300.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,7aS)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
Also Known As: Secophenol, Potassium perfluorooctanoate, 3-HSA, 9,10-Secoandrosta-1,3,5(10)-triene-9,17-dione, 3-hydroxy-, 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
| Molecular Formula | C19H24O3 |
|---|---|
| Molecular Weight | 300.17 g/mol |
| LogP | 3.59772 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.17255 |
| Heavy Atoms | 22 |
| Complexity | 619.1063 |
Chemical Identifiers
| CAS Number | 2394-69-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)O)CCC2[C@@H]3CCC(=O)[C@]3(CCC2=O)C |
Product Overview
3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione (CAS 2394-69-6), with molecular formula C19H24O3 and molecular weight 300.17 g/mol. IUPAC: (3aS,7aS)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione.
Chemical Property Profile of 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
Property Insights of 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
The XLogP value of 3.59772 indicates that 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione has 1 hydrogen bond donor(s) and 3 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-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione?
The CAS number of 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione is 2394-69-6.
What is the molecular formula of 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione?
The molecular formula of 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione is C19H24O3.
What is the molecular weight of 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione?
The molecular weight of 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione is 300.17 g/mol.
Where can I buy 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione?
You can request a quote for 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.