2-(4-Chlorobenzyl)-4-quinazolinethiol
TL;DR: 2-(4-Chlorobenzyl)-4-quinazolinethiol (CAS 303149-23-7) is a chemical compound with molecular formula C15H11ClN2S and molecular weight 286.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-1H-quinazoline-4-thione
Also Known As: 2-(4-chlorobenzyl)-4-quinazolinethiol, 2-[(4-chlorophenyl)methyl]quinazoline-4-thiol, 2-[(4-chlorophenyl)methyl]-1H-quinazoline-4-thione, 2-[(4-chlorophenyl)methyl]-1,4-dihydroquinazoline-4-thione, REGID_for_CID_2766814
| Molecular Formula | C15H11ClN2S |
|---|---|
| Molecular Weight | 286.03 g/mol |
| LogP | 4.53659 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.03314 |
| Heavy Atoms | 19 |
| Complexity | 778.0026 |
Chemical Identifiers
| CAS Number | 303149-23-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)N=C(N2)CC3=CC=C(C=C3)Cl |
Product Overview
2-(4-Chlorobenzyl)-4-quinazolinethiol (CAS 303149-23-7), with molecular formula C15H11ClN2S and molecular weight 286.03 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-1H-quinazoline-4-thione.
Chemical Property Profile of 2-(4-Chlorobenzyl)-4-quinazolinethiol
Property Insights of 2-(4-Chlorobenzyl)-4-quinazolinethiol
The XLogP value of 4.53659 indicates that 2-(4-Chlorobenzyl)-4-quinazolinethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 2-(4-Chlorobenzyl)-4-quinazolinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorobenzyl)-4-quinazolinethiol has 1 hydrogen bond donor(s) and 2 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-Chlorobenzyl)-4-quinazolinethiol?
The CAS number of 2-(4-Chlorobenzyl)-4-quinazolinethiol is 303149-23-7.
What is the molecular formula of 2-(4-Chlorobenzyl)-4-quinazolinethiol?
The molecular formula of 2-(4-Chlorobenzyl)-4-quinazolinethiol is C15H11ClN2S.
What is the molecular weight of 2-(4-Chlorobenzyl)-4-quinazolinethiol?
The molecular weight of 2-(4-Chlorobenzyl)-4-quinazolinethiol is 286.03 g/mol.
Where can I buy 2-(4-Chlorobenzyl)-4-quinazolinethiol?
You can request a quote for 2-(4-Chlorobenzyl)-4-quinazolinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorobenzyl)-4-quinazolinethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorobenzyl)-4-quinazolinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.