![2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile structure](/static/products/3039/303985-71-9.webp)
2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile
TL;DR: 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile (CAS 303985-71-9) is a chemical compound with molecular formula C19H15ClN4S and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-4-(methylamino)-6-phenylpyrimidine-5-carbonitrile
Also Known As: Bionet1_002928, 2-[(2-chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile, 11L-640S, 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(methylamino)-6-phenylpyrimidine-5-carbonitrile, 2-[(2-chlorophenyl)methylsulfanyl]-4-(methylamino)-6-phenylpyrimidine-5-carbonitrile
| Molecular Formula | C19H15ClN4S |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | 5.00268 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.0706 |
| Heavy Atoms | 25 |
| Complexity | 922.4524 |
Chemical Identifiers
| CAS Number | 303985-71-9 |
|---|---|
| SMILES | CNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC=CC=C3Cl |
Product Overview
2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile (CAS 303985-71-9), with molecular formula C19H15ClN4S and molecular weight 366.07 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-4-(methylamino)-6-phenylpyrimidine-5-carbonitrile.
Chemical Property Profile of 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile
Property Insights of 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile
The XLogP value of 5.00268 indicates that 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile has 1 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 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile?
The CAS number of 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile is 303985-71-9.
What is the molecular formula of 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile?
The molecular formula of 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile is C19H15ClN4S.
What is the molecular weight of 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile?
The molecular weight of 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile is 366.07 g/mol.
Where can I buy 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile?
You can request a quote for 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-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 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chlorobenzyl)sulfanyl]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.