2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile
TL;DR: 2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile (CAS 688355-34-2) is a chemical compound with molecular formula C18H16N4OS and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile
Also Known As: ChemDiv1_014223, 2-((4-((4-methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile, 2-[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]acetonitrile, F6548-4584, 2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile
| Molecular Formula | C18H16N4OS |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 3.86618 |
| Topological Polar Surface Area | 70.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.1045 |
| Heavy Atoms | 24 |
| Complexity | 874.3163 |
Chemical Identifiers
| CAS Number | 688355-34-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC#N |
Product Overview
2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile (CAS 688355-34-2), with molecular formula C18H16N4OS and molecular weight 336.10 g/mol. IUPAC: 2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile.
Chemical Property Profile of 2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile
Property Insights of 2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile
The XLogP value of 3.86618 indicates that 2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile. Following Lipinski's Rule of Five, 2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile has 1 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-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile?
The CAS number of 2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile is 688355-34-2.
What is the molecular formula of 2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile?
The molecular formula of 2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile is C18H16N4OS.
What is the molecular weight of 2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile?
The molecular weight of 2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile is 336.10 g/mol.
Where can I buy 2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile?
You can request a quote for 2-((4-((4-Methoxybenzyl)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-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-((4-Methoxybenzyl)amino)quinazolin-2-yl)thio)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.