2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile
TL;DR: 2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile (CAS 422533-55-9) is a chemical compound with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylacetonitrile
Also Known As: ChemDiv1_014353, F6548-4558, 2-((4-((3,4-dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile, 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylacetonitrile, 2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]acetonitrile
| Molecular Formula | C20H20N4O2S |
|---|---|
| Molecular Weight | 380.13 g/mol |
| LogP | 3.91728 |
| Topological Polar Surface Area | 80.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 380.1307 |
| Heavy Atoms | 27 |
| Complexity | 971.8432 |
Chemical Identifiers
| CAS Number | 422533-55-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC#N)OC |
Product Overview
2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile (CAS 422533-55-9), with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol. IUPAC: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylacetonitrile.
Chemical Property Profile of 2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile
Property Insights of 2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile
The XLogP value of 3.91728 indicates that 2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile. Following Lipinski's Rule of Five, 2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile has 1 hydrogen bond donor(s) and 7 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-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile?
The CAS number of 2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile is 422533-55-9.
What is the molecular formula of 2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile?
The molecular formula of 2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile is C20H20N4O2S.
What is the molecular weight of 2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile?
The molecular weight of 2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile is 380.13 g/mol.
Where can I buy 2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile?
You can request a quote for 2-((4-((3,4-Dimethoxyphenethyl)amino)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-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-((3,4-Dimethoxyphenethyl)amino)quinazolin-2-yl)thio)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.