2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one
TL;DR: 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one (CAS 56847-13-3) is a chemical compound with molecular formula C18H18O7 and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-2,3-dihydrochromen-4-one
Also Known As: 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one, 2,3-Dihydro-5,7-dihydroxy-6-methoxy-2- -4H-1-benzopyran-4-one, 2,3-Dihydro-5,7-dihydroxy-6-methoxy-2-(3,4-dimethoxyphenyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-2,3-dihydro-5,7-dihydroxy-6-methoxy-, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-2,3-dihydrochromen-4-one
| Molecular Formula | C18H18O7 |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.10526 |
| Heavy Atoms | 25 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 56847-13-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC |
| InChIKey | JEXGFZJQCDNOKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one (CAS 56847-13-3), with molecular formula C18H18O7 and molecular weight 346.11 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one
Property Insights of 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one. Following Lipinski's Rule of Five, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one has 2 hydrogen bond donor(s) and 7 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 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one?
The CAS number of 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one is 56847-13-3.
What is the molecular formula of 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one?
The molecular formula of 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one is C18H18O7.
What is the molecular weight of 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one?
The molecular weight of 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one is 346.11 g/mol.
Where can I buy 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one?
You can request a quote for 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-4h-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.