![2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile structure](/static/products/573/573708-65-3.png)
2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile
TL;DR: 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile (CAS 573708-65-3) is a chemical compound with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-cyanoethylsulfanyl)-4-oxoquinazolin-3-yl]oxypropanenitrile
Also Known As: 2-[2-(1-cyanoethylsulfanyl)-4-oxoquinazolin-3-yl]oxypropanenitrile, 2-((3-(1-cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanenitrile, 2-{[3-(1-cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile
| Molecular Formula | C14H12N4O2S |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06808 |
| Heavy Atoms | 21 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 573708-65-3 |
|---|---|
| SMILES | CC(C#N)ON1C(=O)C2=CC=CC=C2N=C1SC(C)C#N |
| InChIKey | AEMHDWSJCHFJSF-UHFFFAOYSA-N |
Product Overview
2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile (CAS 573708-65-3), with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol. IUPAC: 2-[2-(1-cyanoethylsulfanyl)-4-oxoquinazolin-3-yl]oxypropanenitrile.
Chemical Property Profile of 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile
Property Insights of 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile. Following Lipinski's Rule of Five, 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile has 0 hydrogen bond donor(s) and 6 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-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile?
The CAS number of 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile is 573708-65-3.
What is the molecular formula of 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile?
The molecular formula of 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile is C14H12N4O2S.
What is the molecular weight of 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile?
The molecular weight of 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile is 300.07 g/mol.
Where can I buy 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile?
You can request a quote for 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(1-Cyanoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.