2-Benzyl-4-quinazolinethiol
TL;DR: 2-Benzyl-4-quinazolinethiol (CAS 85690-42-2) is a chemical compound with molecular formula C15H12N2S and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1H-quinazoline-4-thione
Also Known As: 2-benzyl-4-quinazolinethiol, 2-benzylquinazoline-4-thiol, 2-benzyl-1H-quinazoline-4-thione, 2-benzyl-4(3H)-quinazolinethione, 2-Benzyl-3H-quinazoline-4-thione
| Molecular Formula | C15H12N2S |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 3.88319 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07211 |
| Heavy Atoms | 18 |
| Complexity | 732.0697 |
Chemical Identifiers
| CAS Number | 85690-42-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC(=S)C3=CC=CC=C3N2 |
Product Overview
2-Benzyl-4-quinazolinethiol (CAS 85690-42-2), with molecular formula C15H12N2S and molecular weight 252.07 g/mol. IUPAC: 2-benzyl-1H-quinazoline-4-thione.
Chemical Property Profile of 2-Benzyl-4-quinazolinethiol
Property Insights of 2-Benzyl-4-quinazolinethiol
The XLogP value of 3.88319 indicates that 2-Benzyl-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-Benzyl-4-quinazolinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-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-Benzyl-4-quinazolinethiol?
The CAS number of 2-Benzyl-4-quinazolinethiol is 85690-42-2.
What is the molecular formula of 2-Benzyl-4-quinazolinethiol?
The molecular formula of 2-Benzyl-4-quinazolinethiol is C15H12N2S.
What is the molecular weight of 2-Benzyl-4-quinazolinethiol?
The molecular weight of 2-Benzyl-4-quinazolinethiol is 252.07 g/mol.
Where can I buy 2-Benzyl-4-quinazolinethiol?
You can request a quote for 2-Benzyl-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-Benzyl-4-quinazolinethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4-quinazolinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.