3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin
TL;DR: 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin (CAS 527751-42-4) is a chemical compound with molecular formula C16H9Cl2FO2 and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-6-fluoro-4-methylchromen-2-one
Also Known As: 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin, 3-(2,4-dichlorophenyl)-6-fluoro-4-methylchromen-2-one, 3-(2,4-dichlorophenyl)-6-fluoro-4-methyl-chromen-2-one
| Molecular Formula | C16H9Cl2FO2 |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 5.21432 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.99637 |
| Heavy Atoms | 21 |
| Complexity | 916.0294 |
Chemical Identifiers
| CAS Number | 527751-42-4 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C(C=C2)F)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin (CAS 527751-42-4), with molecular formula C16H9Cl2FO2 and molecular weight 322.00 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-6-fluoro-4-methylchromen-2-one.
Chemical Property Profile of 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin
Property Insights of 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin
The XLogP value of 5.21432 indicates that 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin?
The CAS number of 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin is 527751-42-4.
What is the molecular formula of 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin?
The molecular formula of 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin is C16H9Cl2FO2.
What is the molecular weight of 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin?
The molecular weight of 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin is 322.00 g/mol.
Where can I buy 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin?
You can request a quote for 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Dichlorophenyl)-6-fluoro-4-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.