![2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile structure](/static/products/3408/340807-78-5.webp)
2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile
TL;DR: 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile (CAS 340807-78-5) is a chemical compound with molecular formula C13H11ClN4S2 and molecular weight 322.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: 2-amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile, AB00095233-01, 2-amino-4-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile, 2-amino-4-((2-chlorobenzyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile, 2-amino-4-[(2-chlorophenyl)methylthio]-6-methylthiopyrimidine-5-carbonitrile
| Molecular Formula | C13H11ClN4S2 |
|---|---|
| Molecular Weight | 322.01 g/mol |
| LogP | 3.59808 |
| Topological Polar Surface Area | 75.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.01135 |
| Heavy Atoms | 20 |
| Complexity | 669.9061 |
Chemical Identifiers
| CAS Number | 340807-78-5 |
|---|---|
| SMILES | CSC1=C(C(=NC(=N1)N)SCC2=CC=CC=C2Cl)C#N |
Product Overview
2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile (CAS 340807-78-5), with molecular formula C13H11ClN4S2 and molecular weight 322.01 g/mol. IUPAC: 2-amino-4-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile
Property Insights of 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile
The XLogP value of 3.59808 indicates that 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile 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 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
The CAS number of 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile is 340807-78-5.
What is the molecular formula of 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
The molecular formula of 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile is C13H11ClN4S2.
What is the molecular weight of 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
The molecular weight of 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile is 322.01 g/mol.
Where can I buy 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
You can request a quote for 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-[(2-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.