5-Methylcoumarin
TL;DR: 5-Methylcoumarin (CAS 42286-84-0) 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.
5-methylchromen-2-one
Also Known As: 5-Methylcoumarin, 5-methylchromen-2-one, 5-Methyl-cumarin, 5-Methyl-2H-1-benzopyran-2-one, COUMARIN, 5-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 | 220.0 |
Chemical Identifiers
| CAS Number | 42286-84-0 |
|---|---|
| SMILES | CC1=C2C=CC(=O)OC2=CC=C1 |
| InChIKey | FXMGSXNQELBPMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylcoumarin (CAS 42286-84-0), with molecular formula C10H8O2 and molecular weight 160.05 g/mol. IUPAC: 5-methylchromen-2-one.
Chemical Property Profile of 5-Methylcoumarin
Property Insights of 5-Methylcoumarin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylcoumarin. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-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 5-Methylcoumarin?
The CAS number of 5-Methylcoumarin is 42286-84-0.
What is the molecular formula of 5-Methylcoumarin?
The molecular formula of 5-Methylcoumarin is C10H8O2.
What is the molecular weight of 5-Methylcoumarin?
The molecular weight of 5-Methylcoumarin is 160.05 g/mol.
Where can I buy 5-Methylcoumarin?
You can request a quote for 5-Methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.