4-Methylphenyl2,6-dichloro-5-fluoronicotinate
TL;DR: 4-Methylphenyl2,6-dichloro-5-fluoronicotinate (CAS 724430-48-2) is a chemical compound with molecular formula C13H8Cl2FNO2 and molecular weight 298.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 2,6-dichloro-5-fluoropyridine-3-carboxylate
Also Known As: 4-methylphenyl2,6-dichloro-5-fluoronicotinate, AP-501/42379843, (4-methylphenyl) 2,6-dichloro-5-fluoropyridine-3-carboxylate
| Molecular Formula | C13H8Cl2FNO2 |
|---|---|
| Molecular Weight | 298.99 g/mol |
| LogP | 4.05512 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.9916 |
| Heavy Atoms | 19 |
| Complexity | 629.2855 |
Chemical Identifiers
| CAS Number | 724430-48-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=CC(=C(N=C2Cl)Cl)F |
Product Overview
4-Methylphenyl2,6-dichloro-5-fluoronicotinate (CAS 724430-48-2), with molecular formula C13H8Cl2FNO2 and molecular weight 298.99 g/mol. IUPAC: (4-methylphenyl) 2,6-dichloro-5-fluoropyridine-3-carboxylate.
Chemical Property Profile of 4-Methylphenyl2,6-dichloro-5-fluoronicotinate
Property Insights of 4-Methylphenyl2,6-dichloro-5-fluoronicotinate
The XLogP value of 4.05512 indicates that 4-Methylphenyl2,6-dichloro-5-fluoronicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 4-Methylphenyl2,6-dichloro-5-fluoronicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl2,6-dichloro-5-fluoronicotinate has 0 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 4-Methylphenyl2,6-dichloro-5-fluoronicotinate?
The CAS number of 4-Methylphenyl2,6-dichloro-5-fluoronicotinate is 724430-48-2.
What is the molecular formula of 4-Methylphenyl2,6-dichloro-5-fluoronicotinate?
The molecular formula of 4-Methylphenyl2,6-dichloro-5-fluoronicotinate is C13H8Cl2FNO2.
What is the molecular weight of 4-Methylphenyl2,6-dichloro-5-fluoronicotinate?
The molecular weight of 4-Methylphenyl2,6-dichloro-5-fluoronicotinate is 298.99 g/mol.
Where can I buy 4-Methylphenyl2,6-dichloro-5-fluoronicotinate?
You can request a quote for 4-Methylphenyl2,6-dichloro-5-fluoronicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl2,6-dichloro-5-fluoronicotinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl2,6-dichloro-5-fluoronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.