3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one
TL;DR: 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one (CAS 720674-96-4) is a chemical compound with molecular formula C16H11ClO3 and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-6-hydroxy-4-methylchromen-2-one
Also Known As: 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one, 3-(4-chlorophenyl)-6-hydroxy-4-methylchromen-2-one, VU0489617-1, 3(4'-Chlorophenyl)-6-hydroxy-4-methylcoumarin, 3-(4'-Chlorophenyl)-6-hydroxy-4-methylcoumarin
| Molecular Formula | C16H11ClO3 |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.03967 |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 720674-96-4 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)Cl |
| InChIKey | VQSVJGFIHBAURU-UHFFFAOYSA-N |
Product Overview
3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one (CAS 720674-96-4), with molecular formula C16H11ClO3 and molecular weight 286.04 g/mol. IUPAC: 3-(4-chlorophenyl)-6-hydroxy-4-methylchromen-2-one.
Chemical Property Profile of 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one
Property Insights of 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one
The XLogP value of 3.7 indicates that 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-6-hydroxy-4-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 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one?
The CAS number of 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one is 720674-96-4.
What is the molecular formula of 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one?
The molecular formula of 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one is C16H11ClO3.
What is the molecular weight of 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one?
The molecular weight of 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one is 286.04 g/mol.
Where can I buy 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one?
You can request a quote for 3-(4-chlorophenyl)-6-hydroxy-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-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.