5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
TL;DR: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide (CAS 835892-99-4) is a chemical compound with molecular formula C13H10Cl2N4O3S and molecular weight 371.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
Also Known As: AS-871/43348438, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-(ethylsulfanyl)-4-pyrimidinecarboxamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
| Molecular Formula | C13H10Cl2N4O3S |
|---|---|
| Molecular Weight | 371.99 g/mol |
| LogP | 4.0559 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.98508 |
| Heavy Atoms | 23 |
| Complexity | 772.88 |
Chemical Identifiers
| CAS Number | 835892-99-4 |
|---|---|
| SMILES | CCSC1=NC=C(C(=N1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl |
Product Overview
5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide (CAS 835892-99-4), with molecular formula C13H10Cl2N4O3S and molecular weight 371.99 g/mol. IUPAC: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
Property Insights of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
The XLogP value of 4.0559 indicates that 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide. Following Lipinski's Rule of Five, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide has 1 hydrogen bond donor(s) and 6 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-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide?
The CAS number of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide is 835892-99-4.
What is the molecular formula of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide?
The molecular formula of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide is C13H10Cl2N4O3S.
What is the molecular weight of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide?
The molecular weight of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide is 371.99 g/mol.
Where can I buy 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide?
You can request a quote for 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide 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-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-(2-chloro-4-nitrophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.