4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile
TL;DR: 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile (CAS 124598-28-3) is a chemical compound with molecular formula C12H8ClN3S and molecular weight 261.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile
Also Known As: 4-chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile, 4-chloro-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile, 10L-512S, 4-chloro-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile, J2.771.324F
| Molecular Formula | C12H8ClN3S |
|---|---|
| Molecular Weight | 261.01 g/mol |
| LogP | 3.39058 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.01276 |
| Heavy Atoms | 17 |
| Complexity | 578.29486 |
Chemical Identifiers
| CAS Number | 124598-28-3 |
|---|---|
| SMILES | CSC1=NC(=C(C(=N1)Cl)C#N)C2=CC=CC=C2 |
Product Overview
4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile (CAS 124598-28-3), with molecular formula C12H8ClN3S and molecular weight 261.01 g/mol. IUPAC: 4-chloro-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile
Property Insights of 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile
The XLogP value of 3.39058 indicates that 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile has 0 hydrogen bond donor(s) and 4 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 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile?
The CAS number of 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile is 124598-28-3.
What is the molecular formula of 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile?
The molecular formula of 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile is C12H8ClN3S.
What is the molecular weight of 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile?
The molecular weight of 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile is 261.01 g/mol.
Where can I buy 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile?
You can request a quote for 4-Chloro-2-(methylsulfanyl)-6-phenyl-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-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.