3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol
TL;DR: 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol (CAS 76397-87-0) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-6,7-diol
Also Known As: 6,7-Dihydroxy-4-methoxyisoflavan, 3-(4-methoxyphenyl)chroman-6,7-diol, 6,7-Dihydroxy-4'-methoxyisoflavan, 3-(4-Methoxyphenyl)chromane-6,7-diol, 6,7-dihydroxy-4''-methoxyisoflavan
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 76397-87-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O |
| InChIKey | HEMAEFVLALEJDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol (CAS 76397-87-0), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-6,7-diol.
Chemical Property Profile of 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol
Property Insights of 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol. With a topological polar surface area (TPSA) of 58.9 Ų, 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol 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-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol?
The CAS number of 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol is 76397-87-0.
What is the molecular formula of 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol?
The molecular formula of 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol is C16H16O4.
What is the molecular weight of 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol?
The molecular weight of 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol is 272.10 g/mol.
Where can I buy 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol?
You can request a quote for 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.