![{[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile structure](/static/products/573/573975-28-7.png)
{[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
TL;DR: {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile (CAS 573975-28-7) is a chemical compound with molecular formula C12H8N4O2S and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]oxyacetonitrile
Also Known As: 2-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]oxyacetonitrile, {[3-(cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile, 2-((3-(cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetonitrile
| Molecular Formula | C12H8N4O2S |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 0.96436 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.0368 |
| Heavy Atoms | 19 |
| Complexity | 741.9485 |
Chemical Identifiers
| CAS Number | 573975-28-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)OCC#N |
Product Overview
{[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile (CAS 573975-28-7), with molecular formula C12H8N4O2S and molecular weight 272.04 g/mol. IUPAC: 2-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]oxyacetonitrile.
Chemical Property Profile of {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
Property Insights of {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
The XLogP value of 0.96436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile. Following Lipinski's Rule of Five, {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile 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 {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile?
The CAS number of {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile is 573975-28-7.
What is the molecular formula of {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile?
The molecular formula of {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile is C12H8N4O2S.
What is the molecular weight of {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile?
The molecular weight of {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile is 272.04 g/mol.
Where can I buy {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile?
You can request a quote for {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for {[3-(Cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.