N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine
TL;DR: N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine (CAS 866137-91-9) is a chemical compound with molecular formula C17H17N3S and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)methyl]-2-methylsulfanylquinazolin-4-amine
Also Known As: N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine, N-[(4-methylphenyl)methyl]-2-(methylsulfanyl)quinazolin-4-amine, N-[(4-methylphenyl)methyl]-2-methylsulfanylquinazolin-4-amine, 8W-0300, 2-methylsulfanyl-N-(p-tolylmethyl)quinazolin-4-amine
| Molecular Formula | C17H17N3S |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 4.27222 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.11432 |
| Heavy Atoms | 21 |
| Complexity | 753.58 |
Chemical Identifiers
| CAS Number | 866137-91-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SC |
Product Overview
N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine (CAS 866137-91-9), with molecular formula C17H17N3S and molecular weight 295.11 g/mol. IUPAC: N-[(4-methylphenyl)methyl]-2-methylsulfanylquinazolin-4-amine.
Chemical Property Profile of N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine
Property Insights of N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine
The XLogP value of 4.27222 indicates that N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine has 1 hydrogen bond donor(s) and 4 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 N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine?
The CAS number of N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine is 866137-91-9.
What is the molecular formula of N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine?
The molecular formula of N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine is C17H17N3S.
What is the molecular weight of N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine?
The molecular weight of N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine is 295.11 g/mol.
Where can I buy N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine?
You can request a quote for N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methylbenzyl)-2-(methylsulfanyl)-4-quinazolinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.