3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione
TL;DR: 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione (CAS 2168-61-8) 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,7aS)-4-[2-(2,3-dihydroxy-6-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
Also Known As: 6'-Hydroxy Secophenol, DHSA, 6/'-Hydroxy Secophenol, 3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione, c1122
| Molecular Formula | C19H24O4 |
|---|---|
| Molecular Weight | 316.17 g/mol |
| LogP | 2.5 |
| 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 | 2168-61-8 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)O)O)CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C |
| InChIKey | YUHVBHDSVLKFNI-NJSLBKSFSA-N |
Product Overview
3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione (CAS 2168-61-8), with molecular formula C19H24O4 and molecular weight 316.17 g/mol. IUPAC: (3aS,4S,7aS)-4-[2-(2,3-dihydroxy-6-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione.
Chemical Property Profile of 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione
Property Insights of 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione. Following Lipinski's Rule of Five, 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-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 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione?
The CAS number of 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione is 2168-61-8.
What is the molecular formula of 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione?
The molecular formula of 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione is C19H24O4.
What is the molecular weight of 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione?
The molecular weight of 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione is 316.17 g/mol.
Where can I buy 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione?
You can request a quote for 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-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 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.