![2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile structure](/static/products/3319/331972-01-1.webp)
2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile
TL;DR: 2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile (CAS 331972-01-1) is a chemical compound with molecular formula C17H13N3OS and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile
Also Known As: BAS 00718655, AB00094921-01, 2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile, {[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile, (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetonitrile
| Molecular Formula | C17H13N3OS |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.3098 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.07794 |
| Heavy Atoms | 22 |
| Complexity | 923.2723 |
Chemical Identifiers
| CAS Number | 331972-01-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#N |
Product Overview
2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile (CAS 331972-01-1), with molecular formula C17H13N3OS and molecular weight 307.08 g/mol. IUPAC: 2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile.
Chemical Property Profile of 2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile
Property Insights of 2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile
The XLogP value of 3.3098 indicates that 2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(4-Methylphenyl)-4-oxoquinazolin-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-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile?
The CAS number of 2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile is 331972-01-1.
What is the molecular formula of 2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile?
The molecular formula of 2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile is C17H13N3OS.
What is the molecular weight of 2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile?
The molecular weight of 2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile is 307.08 g/mol.
Where can I buy 2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile?
You can request a quote for 2-[3-(4-Methylphenyl)-4-oxoquinazolin-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-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.