4-Methylcoumarin
TL;DR: 4-Methylcoumarin (CAS 607-71-6) 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.
4-methylchromen-2-one
Also Known As: 4-Methylcoumarin, 4-Methyl-2H-chromen-2-one, 4-Methylcumarin, 4-methylchromen-2-one, COUMARIN, 4-METHYL-
| Molecular Formula | C10H8O2 |
|---|---|
| Molecular Weight | 160.05 g/mol |
| LogP | 2.3 |
| 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 | 230.0 |
Chemical Identifiers
| CAS Number | 607-71-6 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC=CC=C12 |
| InChIKey | PSGQCCSGKGJLRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylcoumarin (CAS 607-71-6), with molecular formula C10H8O2 and molecular weight 160.05 g/mol. IUPAC: 4-methylchromen-2-one.
Chemical Property Profile of 4-Methylcoumarin
Property Insights of 4-Methylcoumarin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylcoumarin. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Methylcoumarin?
The CAS number of 4-Methylcoumarin is 607-71-6.
What is the molecular formula of 4-Methylcoumarin?
The molecular formula of 4-Methylcoumarin is C10H8O2.
What is the molecular weight of 4-Methylcoumarin?
The molecular weight of 4-Methylcoumarin is 160.05 g/mol.
Where can I buy 4-Methylcoumarin?
You can request a quote for 4-Methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.