6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine
TL;DR: 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine (CAS 681271-76-1) is a chemical compound with molecular formula C10H7ClN4O2S and molecular weight 282.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine
Also Known As: 6-((4-chlorophenyl)thio)-5-nitropyrimidin-4-amine, UPCMLD0ENAT5866490:001, 6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine, 6-[(4-chlorophenyl)sulfanyl]-5-nitropyrimidin-4-amine, 6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinamine
| Molecular Formula | C10H7ClN4O2S |
|---|---|
| Molecular Weight | 282.00 g/mol |
| LogP | 2.7716 |
| Topological Polar Surface Area | 94.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.99783 |
| Heavy Atoms | 18 |
| Complexity | 590.9316 |
Chemical Identifiers
| CAS Number | 681271-76-1 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])N)Cl |
Product Overview
6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine (CAS 681271-76-1), with molecular formula C10H7ClN4O2S and molecular weight 282.00 g/mol. IUPAC: 6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine.
Chemical Property Profile of 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine
Property Insights of 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine
The XLogP value of 2.7716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine. The TPSA of 94.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine. Following Lipinski's Rule of Five, 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine 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 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine?
The CAS number of 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine is 681271-76-1.
What is the molecular formula of 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine?
The molecular formula of 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine is C10H7ClN4O2S.
What is the molecular weight of 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine?
The molecular weight of 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine is 282.00 g/mol.
Where can I buy 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine?
You can request a quote for 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.