2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile
TL;DR: 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile (CAS 257908-21-7) is a chemical compound with molecular formula C19H14ClN3S and molecular weight 351.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-chloro-6-(4-methylphenyl)pyrimidine-5-carbonitrile
Also Known As: Bionet1_002740, 2-(benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile, 11L-523S, 2-(benzylsulfanyl)-4-chloro-6-(4-methylphenyl)pyrimidine-5-carbonitrile, 2-benzylsulfanyl-4-chloro-6-(4-methylphenyl)pyrimidine-5-carbonitrile
| Molecular Formula | C19H14ClN3S |
|---|---|
| Molecular Weight | 351.06 g/mol |
| LogP | 5.2694 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.0597 |
| Heavy Atoms | 24 |
| Complexity | 886.9806 |
Chemical Identifiers
| CAS Number | 257908-21-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)Cl)C#N |
Product Overview
2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile (CAS 257908-21-7), with molecular formula C19H14ClN3S and molecular weight 351.06 g/mol. IUPAC: 2-benzylsulfanyl-4-chloro-6-(4-methylphenyl)pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile
Property Insights of 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile
The XLogP value of 5.2694 indicates that 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-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, 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile?
The CAS number of 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile is 257908-21-7.
What is the molecular formula of 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile?
The molecular formula of 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile is C19H14ClN3S.
What is the molecular weight of 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile?
The molecular weight of 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile is 351.06 g/mol.
Where can I buy 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile?
You can request a quote for 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-4-chloro-6-(4-methylphenyl)-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.