4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one
TL;DR: 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one (CAS 163684-50-2) is a chemical compound with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-7-hydroxy-8-methylchromen-2-one
Also Known As: 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one, 4-(chloromethyl)-7-hydroxy-8-methylchromen-2-one, 4-chloromethyl-7-hydroxy-8-methylcoumarin, 4-(Chloromethyl)-7-hydroxy-8-methylcoumarin, 4-chloromethyl-7-hydroxy-8-methyl-chromen-2-one
| Molecular Formula | C11H9ClO3 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 2.54582 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.02402 |
| Heavy Atoms | 15 |
| Complexity | 571.7901 |
Chemical Identifiers
| CAS Number | 163684-50-2 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=O)C=C2CCl)O |
Product Overview
4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one (CAS 163684-50-2), with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol. IUPAC: 4-(chloromethyl)-7-hydroxy-8-methylchromen-2-one.
Chemical Property Profile of 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one
Property Insights of 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one
The XLogP value of 2.54582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one. With a topological polar surface area (TPSA) of 50.44 Ų, 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one has 1 hydrogen bond donor(s) and 3 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)-7-hydroxy-8-methyl-2H-chromen-2-one?
The CAS number of 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one is 163684-50-2.
What is the molecular formula of 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one?
The molecular formula of 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one is C11H9ClO3.
What is the molecular weight of 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one?
The molecular weight of 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one is 224.02 g/mol.
Where can I buy 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one?
You can request a quote for 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.