amino]phenyl isonicotinate structure](/static/products/7019/701946-43-2.webp)
4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate
TL;DR: 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate (CAS 701946-43-2) is a chemical compound with molecular formula C25H18FN3O5S and molecular weight 491.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-fluoro-2-methylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]phenyl] pyridine-4-carboxylate
Also Known As: CBKinase1_006987, CBKinase1_019387, AQ-390/42709757, 4-[[(4-fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate, [4-[(4-fluoro-2-methylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]phenyl] pyridine-4-carboxylate
| Molecular Formula | C25H18FN3O5S |
|---|---|
| Molecular Weight | 491.10 g/mol |
| LogP | 4.17902 |
| Topological Polar Surface Area | 106.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.09512 |
| Heavy Atoms | 35 |
| Complexity | 1479.0519 |
Chemical Identifiers
| CAS Number | 701946-43-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC=NC=C3)C(=O)C4=CC=NC=C4 |
Product Overview
4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate (CAS 701946-43-2), with molecular formula C25H18FN3O5S and molecular weight 491.10 g/mol. IUPAC: [4-[(4-fluoro-2-methylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]phenyl] pyridine-4-carboxylate.
Chemical Property Profile of 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate
Property Insights of 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate
The XLogP value of 4.17902 indicates that 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate. Following Lipinski's Rule of Five, 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate has 0 hydrogen bond donor(s) and 7 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-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate?
The CAS number of 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate is 701946-43-2.
What is the molecular formula of 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate?
The molecular formula of 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate is C25H18FN3O5S.
What is the molecular weight of 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate?
The molecular weight of 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate is 491.10 g/mol.
Where can I buy 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate?
You can request a quote for 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(4-Fluoro-2-methylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.