Methylcoumarin (mixed isomers)
TL;DR: Methylcoumarin (mixed isomers) (CAS 2445-82-1) 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.
3-methylchromen-2-one
Also Known As: 3-Methylcoumarin, 3-Methyl-2H-chromen-2-one, Methyl-2-benzopyrone, methylcoumarin, 3-methylchromen-2-one
| 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 | 2445-82-1 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2OC1=O |
| InChIKey | VIIIJFZJKFXOGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylcoumarin (mixed isomers) (CAS 2445-82-1), with molecular formula C10H8O2 and molecular weight 160.05 g/mol. IUPAC: 3-methylchromen-2-one.
Chemical Property Profile of Methylcoumarin (mixed isomers)
Property Insights of Methylcoumarin (mixed isomers)
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylcoumarin (mixed isomers). With a topological polar surface area (TPSA) of 26.3 Ų, Methylcoumarin (mixed isomers) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylcoumarin (mixed isomers) 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 Methylcoumarin (mixed isomers)?
The CAS number of Methylcoumarin (mixed isomers) is 2445-82-1.
What is the molecular formula of Methylcoumarin (mixed isomers)?
The molecular formula of Methylcoumarin (mixed isomers) is C10H8O2.
What is the molecular weight of Methylcoumarin (mixed isomers)?
The molecular weight of Methylcoumarin (mixed isomers) is 160.05 g/mol.
Where can I buy Methylcoumarin (mixed isomers)?
You can request a quote for Methylcoumarin (mixed isomers) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylcoumarin (mixed isomers)?
Yes, KEHONG BIO provides custom synthesis services for Methylcoumarin (mixed isomers) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.