6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin
TL;DR: 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin (CAS 53391-76-7) 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.
6-chloro-7-hydroxy-4-methyl-3-phenylchromen-2-one
Also Known As: 6-CHLORO-7-HYDROXY-4-METHYL-3-PHENYLCOUMARIN, 6-chloro-7-hydroxy-4-methyl-3-phenylchromen-2-one, 6-Chloro-7-hydroxy-4-methyl-3-phenyl-2H-1-benzopyran-2-one
| Molecular Formula | C16H11ClO3 |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 4.12742 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.03967 |
| Heavy Atoms | 20 |
| Complexity | 850.9653 |
Chemical Identifiers
| CAS Number | 53391-76-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)C3=CC=CC=C3 |
Product Overview
6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin (CAS 53391-76-7), with molecular formula C16H11ClO3 and molecular weight 286.04 g/mol. IUPAC: 6-chloro-7-hydroxy-4-methyl-3-phenylchromen-2-one.
Chemical Property Profile of 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin
Property Insights of 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin
The XLogP value of 4.12742 indicates that 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin 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 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin?
The CAS number of 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin is 53391-76-7.
What is the molecular formula of 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin?
The molecular formula of 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin is C16H11ClO3.
What is the molecular weight of 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin?
The molecular weight of 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin is 286.04 g/mol.
Where can I buy 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin?
You can request a quote for 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-7-hydroxy-4-methyl-3-phenylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.