2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate
TL;DR: 2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate (CAS 680217-92-9) is a chemical compound with molecular formula C14H10Cl2FNO2 and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylphenyl) 2,6-dichloro-5-fluoropyridine-3-carboxylate
Also Known As: 2,6-dimethylphenyl 2,6-dichloro-5-fluoronicotinate, (2,6-dimethylphenyl) 2,6-dichloro-5-fluoropyridine-3-carboxylate, 2,6-dimethylphenyl 2,6-dichloro-5-fluoropyridine-3-carboxylate
| Molecular Formula | C14H10Cl2FNO2 |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 4.36354 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.00726 |
| Heavy Atoms | 20 |
| Complexity | 668.8644 |
Chemical Identifiers
| CAS Number | 680217-92-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=C(N=C2Cl)Cl)F |
Product Overview
2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate (CAS 680217-92-9), with molecular formula C14H10Cl2FNO2 and molecular weight 313.01 g/mol. IUPAC: (2,6-dimethylphenyl) 2,6-dichloro-5-fluoropyridine-3-carboxylate.
Chemical Property Profile of 2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate
Property Insights of 2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate
The XLogP value of 4.36354 indicates that 2,6-Dimethylphenyl 2,6-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, 2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylphenyl 2,6-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 2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate?
The CAS number of 2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate is 680217-92-9.
What is the molecular formula of 2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate?
The molecular formula of 2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate is C14H10Cl2FNO2.
What is the molecular weight of 2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate?
The molecular weight of 2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate is 313.01 g/mol.
Where can I buy 2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate?
You can request a quote for 2,6-Dimethylphenyl 2,6-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 2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylphenyl 2,6-dichloro-5-fluoronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.