7,8-Dimethoxycoumarin
TL;DR: 7,8-Dimethoxycoumarin (CAS 2445-80-9) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxychromen-2-one
Also Known As: 7,8-Dimethoxycoumarin, Daphnetin dimethyl ether, 7,8-dimethoxychromen-2-one, Etin dimetyl ether, Coumarin Impurity 4
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 2445-80-9 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=CC(=O)O2)OC |
| InChIKey | CHBBSMUTOCUVDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7,8-Dimethoxycoumarin (CAS 2445-80-9), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: 7,8-dimethoxychromen-2-one.
Chemical Property Profile of 7,8-Dimethoxycoumarin
Property Insights of 7,8-Dimethoxycoumarin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-Dimethoxycoumarin. With a topological polar surface area (TPSA) of 44.8 Ų, 7,8-Dimethoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Dimethoxycoumarin has 0 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 7,8-Dimethoxycoumarin?
The CAS number of 7,8-Dimethoxycoumarin is 2445-80-9.
What is the molecular formula of 7,8-Dimethoxycoumarin?
The molecular formula of 7,8-Dimethoxycoumarin is C11H10O4.
What is the molecular weight of 7,8-Dimethoxycoumarin?
The molecular weight of 7,8-Dimethoxycoumarin is 206.06 g/mol.
Where can I buy 7,8-Dimethoxycoumarin?
You can request a quote for 7,8-Dimethoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dimethoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dimethoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.