7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan
TL;DR: 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan (CAS 140455-97-6) is a chemical compound with molecular formula C18H20O6 and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-7,8-diol
Also Known As: Cocus I, 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan, (3S)-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-7,8-diol, 3-(2,4,5-Trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7,8-diol, (3S)-3-(2,4,5-TRIMETHOXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-7,8-DIOL
| Molecular Formula | C18H20O6 |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.12598 |
| Heavy Atoms | 24 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 140455-97-6 |
|---|---|
| SMILES | COC1=CC(=C(C=C1[C@@H]2CC3=C(C(=C(C=C3)O)O)OC2)OC)OC |
| InChIKey | ZRLWPQMAJQKTFX-LLVKDONJSA-N |
Product Overview
7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan (CAS 140455-97-6), with molecular formula C18H20O6 and molecular weight 332.13 g/mol. IUPAC: (3S)-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-7,8-diol.
Chemical Property Profile of 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan
Property Insights of 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan. Following Lipinski's Rule of Five, 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan has 2 hydrogen bond donor(s) and 6 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 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan?
The CAS number of 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan is 140455-97-6.
What is the molecular formula of 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan?
The molecular formula of 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan is C18H20O6.
What is the molecular weight of 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan?
The molecular weight of 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan is 332.13 g/mol.
Where can I buy 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan?
You can request a quote for 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dihydroxy-2',4',5'-trimethoxyisoflavan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.