amino]phenyl isonicotinate structure](/static/products/5183/518320-99-5.webp)
4-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate
TL;DR: 4-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate (CAS 518320-99-5) is a chemical compound with molecular formula C26H21N3O5S and molecular weight 487.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2,4-dimethylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]phenyl] pyridine-4-carboxylate
Also Known As: CBKinase1_003005, CBKinase1_015405, 4-[[(2,4-dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate, AP-906/41639084, 4-(N-((2,4-dimethylphenyl)sulfonyl)isonicotinamido)phenyl isonicotinate
| Molecular Formula | C26H21N3O5S |
|---|---|
| Molecular Weight | 487.12 g/mol |
| LogP | 4.34834 |
| Topological Polar Surface Area | 106.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.12018 |
| Heavy Atoms | 35 |
| Complexity | 1472.9369 |
Chemical Identifiers
| CAS Number | 518320-99-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC=NC=C3)C(=O)C4=CC=NC=C4)C |
Product Overview
4-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate (CAS 518320-99-5), with molecular formula C26H21N3O5S and molecular weight 487.12 g/mol. IUPAC: [4-[(2,4-dimethylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]phenyl] pyridine-4-carboxylate.
Chemical Property Profile of 4-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate
Property Insights of 4-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate
The XLogP value of 4.34834 indicates that 4-[[(2,4-Dimethylphenyl)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-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate. Following Lipinski's Rule of Five, 4-[[(2,4-Dimethylphenyl)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-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate?
The CAS number of 4-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate is 518320-99-5.
What is the molecular formula of 4-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate?
The molecular formula of 4-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate is C26H21N3O5S.
What is the molecular weight of 4-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate?
The molecular weight of 4-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate is 487.12 g/mol.
Where can I buy 4-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate?
You can request a quote for 4-[[(2,4-Dimethylphenyl)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-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(2,4-Dimethylphenyl)sulfonyl](isonicotinoyl)amino]phenyl isonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.