6,7-Dihydroxy-4'-methylisoflavan
TL;DR: 6,7-Dihydroxy-4'-methylisoflavan (CAS 116718-91-3) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-3,4-dihydro-2H-chromene-6,7-diol
Also Known As: 6,7-Dihydroxy-4'-methylisoflavan, 3-(p-tolyl)chromane-6,7-diol, 3-(4-Methylphenyl)chromane-6,7-diol, NCI60_004482, 3-(4-methylphenyl)-3,4-dihydro-2H-chromene-6,7-diol
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 116718-91-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O |
| InChIKey | OKUSEYCLSBRHFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,7-Dihydroxy-4'-methylisoflavan (CAS 116718-91-3), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: 3-(4-methylphenyl)-3,4-dihydro-2H-chromene-6,7-diol.
Chemical Property Profile of 6,7-Dihydroxy-4'-methylisoflavan
Property Insights of 6,7-Dihydroxy-4'-methylisoflavan
The XLogP value of 3.3 indicates that 6,7-Dihydroxy-4'-methylisoflavan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 6,7-Dihydroxy-4'-methylisoflavan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dihydroxy-4'-methylisoflavan has 2 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 6,7-Dihydroxy-4'-methylisoflavan?
The CAS number of 6,7-Dihydroxy-4'-methylisoflavan is 116718-91-3.
What is the molecular formula of 6,7-Dihydroxy-4'-methylisoflavan?
The molecular formula of 6,7-Dihydroxy-4'-methylisoflavan is C16H16O3.
What is the molecular weight of 6,7-Dihydroxy-4'-methylisoflavan?
The molecular weight of 6,7-Dihydroxy-4'-methylisoflavan is 256.11 g/mol.
Where can I buy 6,7-Dihydroxy-4'-methylisoflavan?
You can request a quote for 6,7-Dihydroxy-4'-methylisoflavan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dihydroxy-4'-methylisoflavan?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dihydroxy-4'-methylisoflavan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.