4-(chloromethyl)-6-hydroxy-2H-chromen-2-one
TL;DR: 4-(chloromethyl)-6-hydroxy-2H-chromen-2-one (CAS 847367-12-8) is a chemical compound with molecular formula C10H7ClO3 and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-6-hydroxychromen-2-one
Also Known As: 4-(chloromethyl)-6-hydroxy-2H-chromen-2-one, 4-(chloromethyl)-6-hydroxychromen-2-one, 4-chloromethyl-6-hydroxycoumarin, 4-chloromethyl-6-hydroxy-coumarin, 4-(chloromethyl)-6-hydroxy-chromen-2-one
| Molecular Formula | C10H7ClO3 |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 2.2374 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.00838 |
| Heavy Atoms | 14 |
| Complexity | 530.3684 |
Chemical Identifiers
| CAS Number | 847367-12-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)C(=CC(=O)O2)CCl |
Product Overview
4-(chloromethyl)-6-hydroxy-2H-chromen-2-one (CAS 847367-12-8), with molecular formula C10H7ClO3 and molecular weight 210.01 g/mol. IUPAC: 4-(chloromethyl)-6-hydroxychromen-2-one.
Chemical Property Profile of 4-(chloromethyl)-6-hydroxy-2H-chromen-2-one
Property Insights of 4-(chloromethyl)-6-hydroxy-2H-chromen-2-one
The XLogP value of 2.2374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(chloromethyl)-6-hydroxy-2H-chromen-2-one. With a topological polar surface area (TPSA) of 50.44 Ų, 4-(chloromethyl)-6-hydroxy-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(chloromethyl)-6-hydroxy-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)-6-hydroxy-2H-chromen-2-one?
The CAS number of 4-(chloromethyl)-6-hydroxy-2H-chromen-2-one is 847367-12-8.
What is the molecular formula of 4-(chloromethyl)-6-hydroxy-2H-chromen-2-one?
The molecular formula of 4-(chloromethyl)-6-hydroxy-2H-chromen-2-one is C10H7ClO3.
What is the molecular weight of 4-(chloromethyl)-6-hydroxy-2H-chromen-2-one?
The molecular weight of 4-(chloromethyl)-6-hydroxy-2H-chromen-2-one is 210.01 g/mol.
Where can I buy 4-(chloromethyl)-6-hydroxy-2H-chromen-2-one?
You can request a quote for 4-(chloromethyl)-6-hydroxy-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)-6-hydroxy-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(chloromethyl)-6-hydroxy-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.