4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one
TL;DR: 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one (CAS 19040-71-2) is a chemical compound with molecular formula C10H7ClO4 and molecular weight 226.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-7,8-dihydroxychromen-2-one
Also Known As: 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one, 4-(chloromethyl)-7,8-dihydroxychromen-2-one, 4-(Chloromethyl)-7,8-dihydroxy-2-benzopyrone, EINECS 242-773-9, 4-chloromethyl-7,8-dihydroxycoumarin
| Molecular Formula | C10H7ClO4 |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 1.943 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.00328 |
| Heavy Atoms | 15 |
| Complexity | 573.37946 |
Chemical Identifiers
| CAS Number | 19040-71-2 |
|---|---|
| SMILES | C1=CC(=C(C2=C1C(=CC(=O)O2)CCl)O)O |
Product Overview
4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one (CAS 19040-71-2), with molecular formula C10H7ClO4 and molecular weight 226.00 g/mol. IUPAC: 4-(chloromethyl)-7,8-dihydroxychromen-2-one.
Chemical Property Profile of 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one
Property Insights of 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one
The XLogP value of 1.943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one. Following Lipinski's Rule of Five, 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one has 2 hydrogen bond donor(s) and 4 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)-7,8-dihydroxy-2H-chromen-2-one?
The CAS number of 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one is 19040-71-2.
What is the molecular formula of 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one?
The molecular formula of 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one is C10H7ClO4.
What is the molecular weight of 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one?
The molecular weight of 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one is 226.00 g/mol.
Where can I buy 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one?
You can request a quote for 4-(chloromethyl)-7,8-dihydroxy-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)-7,8-dihydroxy-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.