5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
TL;DR: 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide (CAS 838599-64-7) is a chemical compound with molecular formula C13H11ClN4O3S and molecular weight 338.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(2-methyl-5-nitrophenyl)-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide, 5-chloro-N-(2-methyl-5-nitrophenyl)-2-methylsulfanylpyrimidine-4-carboxamide
| Molecular Formula | C13H11ClN4O3S |
|---|---|
| Molecular Weight | 338.02 g/mol |
| LogP | 3.32082 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.02405 |
| Heavy Atoms | 22 |
| Complexity | 754.06024 |
Chemical Identifiers
| CAS Number | 838599-64-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=NC(=NC=C2Cl)SC |
Product Overview
5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide (CAS 838599-64-7), with molecular formula C13H11ClN4O3S and molecular weight 338.02 g/mol. IUPAC: 5-chloro-N-(2-methyl-5-nitrophenyl)-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Property Insights of 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
The XLogP value of 3.32082 indicates that 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-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-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide. Following Lipinski's Rule of Five, 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-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-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide?
The CAS number of 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide is 838599-64-7.
What is the molecular formula of 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide?
The molecular formula of 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide is C13H11ClN4O3S.
What is the molecular weight of 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide?
The molecular weight of 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide is 338.02 g/mol.
Where can I buy 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide?
You can request a quote for 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-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-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.