4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
TL;DR: 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile (CAS 320418-64-2) is a chemical compound with molecular formula C22H13ClN4S and molecular weight 400.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine-5-carbonitrile
Also Known As: 1E-180S, 4-(4-chlorophenyl)-6-(phenylsulfanyl)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile, 4-(4-chlorophenyl)-6-(phenylsulfanyl)-2-(pyridin-3-yl)pyrimidine-5-carbonitrile, 4-(4-chlorophenyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine-5-carbonitrile, 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
| Molecular Formula | C22H13ClN4S |
|---|---|
| Molecular Weight | 400.05 g/mol |
| LogP | 5.88188 |
| Topological Polar Surface Area | 62.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.05493 |
| Heavy Atoms | 28 |
| Complexity | 1141.0216 |
Chemical Identifiers
| CAS Number | 320418-64-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)C4=CN=CC=C4 |
Product Overview
4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile (CAS 320418-64-2), with molecular formula C22H13ClN4S and molecular weight 400.05 g/mol. IUPAC: 4-(4-chlorophenyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
Property Insights of 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
The XLogP value of 5.88188 indicates that 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile?
The CAS number of 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile is 320418-64-2.
What is the molecular formula of 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile?
The molecular formula of 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile is C22H13ClN4S.
What is the molecular weight of 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile?
The molecular weight of 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile is 400.05 g/mol.
Where can I buy 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile?
You can request a quote for 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.