2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile
TL;DR: 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile (CAS 708289-58-1) is a chemical compound with molecular formula C16H10ClN3S and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile
Also Known As: 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile, [(6-chloro-4-phenyl-2-quinazolinyl)thio]acetonitrile, 2-(6-chloro-4-phenylquinazolin-2-ylthio)ethanenitrile, [(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]acetonitrile, 2-((6-chloro-4-phenylquinazolin-2-yl)thio)acetonitrile
| Molecular Formula | C16H10ClN3S |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 4.56588 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.02838 |
| Heavy Atoms | 21 |
| Complexity | 828.04 |
Chemical Identifiers
| CAS Number | 708289-58-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)SCC#N |
Product Overview
2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile (CAS 708289-58-1), with molecular formula C16H10ClN3S and molecular weight 311.03 g/mol. IUPAC: 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile.
Chemical Property Profile of 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile
Property Insights of 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile
The XLogP value of 4.56588 indicates that 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile 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-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile 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 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile?
The CAS number of 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile is 708289-58-1.
What is the molecular formula of 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile?
The molecular formula of 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile is C16H10ClN3S.
What is the molecular weight of 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile?
The molecular weight of 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile is 311.03 g/mol.
Where can I buy 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile?
You can request a quote for 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.