3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate
TL;DR: 3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate (CAS 680217-93-0) is a chemical compound with molecular formula C13H8Cl2FNO3 and molecular weight 314.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxyphenyl) 2,6-dichloro-5-fluoropyridine-3-carboxylate
Also Known As: 3-methoxyphenyl 2,6-dichloro-5-fluoronicotinate, (3-methoxyphenyl) 2,6-dichloro-5-fluoropyridine-3-carboxylate, 3-methoxyphenyl 2,6-dichloro-5-fluoropyridine-3-carboxylate
| Molecular Formula | C13H8Cl2FNO3 |
|---|---|
| Molecular Weight | 314.99 g/mol |
| LogP | 3.7553 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.98654 |
| Heavy Atoms | 20 |
| Complexity | 664.0597 |
Chemical Identifiers
| CAS Number | 680217-93-0 |
|---|---|
| SMILES | COC1=CC(=CC=C1)OC(=O)C2=CC(=C(N=C2Cl)Cl)F |
Product Overview
3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate (CAS 680217-93-0), with molecular formula C13H8Cl2FNO3 and molecular weight 314.99 g/mol. IUPAC: (3-methoxyphenyl) 2,6-dichloro-5-fluoropyridine-3-carboxylate.
Chemical Property Profile of 3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate
Property Insights of 3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate
The XLogP value of 3.7553 indicates that 3-Methoxyphenyl 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 48.42 Ų, 3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate has 0 hydrogen bond donor(s) and 4 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-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate?
The CAS number of 3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate is 680217-93-0.
What is the molecular formula of 3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate?
The molecular formula of 3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate is C13H8Cl2FNO3.
What is the molecular weight of 3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate?
The molecular weight of 3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate is 314.99 g/mol.
Where can I buy 3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate?
You can request a quote for 3-Methoxyphenyl 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 3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyphenyl 2,6-dichloro-5-fluoronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.