7-Methylcoumarin
TL;DR: 7-Methylcoumarin (CAS 2445-83-2) is a chemical compound with molecular formula C10H8O2 and molecular weight 160.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methylchromen-2-one
Also Known As: 7-Methylcoumarin, 7-Methyl-2H-chromen-2-one, 7-methylchromen-2-one, 7-Methylcumarin, 7-Methyl coumarin
| Molecular Formula | C10H8O2 |
|---|---|
| Molecular Weight | 160.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.05243 |
| Heavy Atoms | 12 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 2445-83-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C=CC(=O)O2 |
| InChIKey | DLHXRDUXNVEIEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methylcoumarin (CAS 2445-83-2), with molecular formula C10H8O2 and molecular weight 160.05 g/mol. IUPAC: 7-methylchromen-2-one.
Chemical Property Profile of 7-Methylcoumarin
Property Insights of 7-Methylcoumarin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methylcoumarin. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methylcoumarin has 0 hydrogen bond donor(s) and 2 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-Methylcoumarin?
The CAS number of 7-Methylcoumarin is 2445-83-2.
What is the molecular formula of 7-Methylcoumarin?
The molecular formula of 7-Methylcoumarin is C10H8O2.
What is the molecular weight of 7-Methylcoumarin?
The molecular weight of 7-Methylcoumarin is 160.05 g/mol.
Where can I buy 7-Methylcoumarin?
You can request a quote for 7-Methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.