![2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile structure](/static/products/6897/689757-88-8.webp)
2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile
TL;DR: 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile (CAS 689757-88-8) is a chemical compound with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-morpholin-4-yl-4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetonitrile
Also Known As: ChemDiv3_012937, VU0158073-4, BRD-K73384496-001-01-4, 2-(6-morpholin-4-yl-4-oxo-3-phenethylquinazolin-2-yl)sulfanylacetonitrile, 2-[(4-keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile
| Molecular Formula | C22H22N4O2S |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 3.09148 |
| Topological Polar Surface Area | 71.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.14636 |
| Heavy Atoms | 29 |
| Complexity | 1085.648 |
Chemical Identifiers
| CAS Number | 689757-88-8 |
|---|---|
| SMILES | C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC#N |
Product Overview
2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile (CAS 689757-88-8), with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol. IUPAC: 2-[6-morpholin-4-yl-4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetonitrile.
Chemical Property Profile of 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile
Property Insights of 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile
The XLogP value of 3.09148 indicates that 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile. Following Lipinski's Rule of Five, 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]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 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile?
The CAS number of 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile is 689757-88-8.
What is the molecular formula of 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile?
The molecular formula of 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile is C22H22N4O2S.
What is the molecular weight of 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile?
The molecular weight of 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile is 406.15 g/mol.
Where can I buy 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile?
You can request a quote for 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.