3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione
TL;DR: 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione (CAS 79683-94-6) is a chemical compound with molecular formula C19H24O4 and molecular weight 316.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
Also Known As: 12-Hydroxysecophenol, 3,12-Dsatd, 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione, (3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione, 3,12-dihydroxy-9 -secoandrosta-1,3,5 -triene-9,17-dione
| Molecular Formula | C19H24O4 |
|---|---|
| Molecular Weight | 316.17 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.16745 |
| Heavy Atoms | 23 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 79683-94-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)O)CC[C@H]2[C@@H]3CCC(=O)[C@]3([C@@H](CC2=O)O)C |
| InChIKey | SCRZLRQVKYXYFZ-SAKMYQHLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione (CAS 79683-94-6), with molecular formula C19H24O4 and molecular weight 316.17 g/mol. IUPAC: (3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione.
Chemical Property Profile of 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione
Property Insights of 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione. Following Lipinski's Rule of Five, 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione has 2 hydrogen bond donor(s) and 4 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 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione?
The CAS number of 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione is 79683-94-6.
What is the molecular formula of 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione?
The molecular formula of 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione is C19H24O4.
What is the molecular weight of 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione?
The molecular weight of 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione is 316.17 g/mol.
Where can I buy 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione?
You can request a quote for 3,12-Dihydroxy-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 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,12-Dihydroxy-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.