3(4'-Chlorophenyl)-4,6-dimethylcoumarin
TL;DR: 3(4'-Chlorophenyl)-4,6-dimethylcoumarin (CAS 720674-71-5) is a chemical compound with molecular formula C17H13ClO2 and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-4,6-dimethylchromen-2-one
Also Known As: 3-(4-chlorophenyl)-4,6-dimethylchromen-2-one, 3(4'-Chlorophenyl)-4,6-dimethylcoumarin, 3-(4'-Chlorophenyl)-4,6-dimethylcoumarin, 3-(4 inverted exclamation mark -Chlorophenyl)-4,6-dimethylcoumarin, RefChem:269700
| Molecular Formula | C17H13ClO2 |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.0604 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 720674-71-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)C(=C2C)C3=CC=C(C=C3)Cl |
| InChIKey | RGNMXSPMIDBLKW-UHFFFAOYSA-N |
Product Overview
3(4'-Chlorophenyl)-4,6-dimethylcoumarin (CAS 720674-71-5), with molecular formula C17H13ClO2 and molecular weight 284.06 g/mol. IUPAC: 3-(4-chlorophenyl)-4,6-dimethylchromen-2-one.
Chemical Property Profile of 3(4'-Chlorophenyl)-4,6-dimethylcoumarin
Property Insights of 3(4'-Chlorophenyl)-4,6-dimethylcoumarin
The XLogP value of 4.5 indicates that 3(4'-Chlorophenyl)-4,6-dimethylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3(4'-Chlorophenyl)-4,6-dimethylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(4'-Chlorophenyl)-4,6-dimethylcoumarin has 0 hydrogen bond donor(s) and 2 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)-4,6-dimethylcoumarin?
The CAS number of 3(4'-Chlorophenyl)-4,6-dimethylcoumarin is 720674-71-5.
What is the molecular formula of 3(4'-Chlorophenyl)-4,6-dimethylcoumarin?
The molecular formula of 3(4'-Chlorophenyl)-4,6-dimethylcoumarin is C17H13ClO2.
What is the molecular weight of 3(4'-Chlorophenyl)-4,6-dimethylcoumarin?
The molecular weight of 3(4'-Chlorophenyl)-4,6-dimethylcoumarin is 284.06 g/mol.
Where can I buy 3(4'-Chlorophenyl)-4,6-dimethylcoumarin?
You can request a quote for 3(4'-Chlorophenyl)-4,6-dimethylcoumarin 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)-4,6-dimethylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3(4'-Chlorophenyl)-4,6-dimethylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.