![5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide structure](/static/products/835/835888-95-4.png)
5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide
TL;DR: 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide (CAS 835888-95-4) is a chemical compound with molecular formula C18H18ClN5O4S2 and molecular weight 467.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylsulfanylpyrimidine-4-carboxamide
Also Known As: 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide, 5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylsulfanylpyrimidine-4-carboxamide, 5-chloro-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-(ethylsulfanyl)pyrimidine-4-carboxamide, 5-chloranyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylsulfanyl-pyrimidine-4-carboxamide, 5-chloro-N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-(ethylthio)-4-pyrimidinecarboxamide
| Molecular Formula | C18H18ClN5O4S2 |
|---|---|
| Molecular Weight | 467.05 g/mol |
| LogP | 3.89994 |
| Topological Polar Surface Area | 127.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.0489 |
| Heavy Atoms | 30 |
| Complexity | 1179.7875 |
Chemical Identifiers
| CAS Number | 835888-95-4 |
|---|---|
| SMILES | CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C)Cl |
Product Overview
5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide (CAS 835888-95-4), with molecular formula C18H18ClN5O4S2 and molecular weight 467.05 g/mol. IUPAC: 5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide
Property Insights of 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide
The XLogP value of 3.89994 indicates that 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide. Following Lipinski's Rule of Five, 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide has 2 hydrogen bond donor(s) and 8 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 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide?
The CAS number of 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide is 835888-95-4.
What is the molecular formula of 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide?
The molecular formula of 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide is C18H18ClN5O4S2.
What is the molecular weight of 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide?
The molecular weight of 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide is 467.05 g/mol.
Where can I buy 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide?
You can request a quote for 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(ethylthio)-4-pyrimidinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.