3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one
TL;DR: 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one (CAS 22649-27-0) 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.
3-chloro-5,7-dihydroxy-4-methylchromen-2-one
Also Known As: 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one, chlorodihydroxymethylchromenone, 3-chloro-5,7-dihydroxy-4-methylchromen-2-one, 3-Chloro-4-methyl-5,7-dihydroxycoumarin, J2.306.093K
| Molecular Formula | C10H7ClO4 |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 2.16602 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.00328 |
| Heavy Atoms | 15 |
| Complexity | 600.3744 |
Chemical Identifiers
| CAS Number | 22649-27-0 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)Cl |
Product Overview
3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one (CAS 22649-27-0), with molecular formula C10H7ClO4 and molecular weight 226.00 g/mol. IUPAC: 3-chloro-5,7-dihydroxy-4-methylchromen-2-one.
Chemical Property Profile of 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one
Property Insights of 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one
The XLogP value of 2.16602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-chloro-5,7-dihydroxy-4-methyl-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 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one?
The CAS number of 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one is 22649-27-0.
What is the molecular formula of 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one?
The molecular formula of 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one is C10H7ClO4.
What is the molecular weight of 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one?
The molecular weight of 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one is 226.00 g/mol.
Where can I buy 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one?
You can request a quote for 3-chloro-5,7-dihydroxy-4-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 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.