4-Chloromethyl-6-methylcoumarin
TL;DR: 4-Chloromethyl-6-methylcoumarin (CAS 41295-65-2) is a chemical compound with molecular formula C11H9ClO2 and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-6-methylchromen-2-one
Also Known As: 4-(chloromethyl)-6-methyl-2H-chromen-2-one, 4-chloromethyl-6-methylcoumarin, 4-CHLOROMETHYL-6-METHYL-CHROMEN-2-ONE, 4-(chloromethyl)-6-methylchromen-2-one, 4-(chloromethyl)-6-methyl-chromen-2-one
| Molecular Formula | C11H9ClO2 |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 2.84022 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.02911 |
| Heavy Atoms | 14 |
| Complexity | 528.2888 |
Chemical Identifiers
| CAS Number | 41295-65-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)C=C2CCl |
Product Overview
4-Chloromethyl-6-methylcoumarin (CAS 41295-65-2), with molecular formula C11H9ClO2 and molecular weight 208.03 g/mol. IUPAC: 4-(chloromethyl)-6-methylchromen-2-one.
Chemical Property Profile of 4-Chloromethyl-6-methylcoumarin
Property Insights of 4-Chloromethyl-6-methylcoumarin
The XLogP value of 2.84022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloromethyl-6-methylcoumarin. With a topological polar surface area (TPSA) of 30.21 Ų, 4-Chloromethyl-6-methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloromethyl-6-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-Chloromethyl-6-methylcoumarin?
The CAS number of 4-Chloromethyl-6-methylcoumarin is 41295-65-2.
What is the molecular formula of 4-Chloromethyl-6-methylcoumarin?
The molecular formula of 4-Chloromethyl-6-methylcoumarin is C11H9ClO2.
What is the molecular weight of 4-Chloromethyl-6-methylcoumarin?
The molecular weight of 4-Chloromethyl-6-methylcoumarin is 208.03 g/mol.
Where can I buy 4-Chloromethyl-6-methylcoumarin?
You can request a quote for 4-Chloromethyl-6-methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloromethyl-6-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloromethyl-6-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.