3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 35976-97-7) is a chemical compound with molecular formula C15H11ClN2OS and molecular weight 302.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, AB00117962-01, 3-[(3-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one, 3-(3-chlorobenzyl)-2-sulfanylquinazolin-4(3H)-one, 3-(3-Chloro-benzyl)-2-thioxo-2,3-dihydro-1H-quinazolin-4-one
| Molecular Formula | C15H11ClN2OS |
|---|---|
| Molecular Weight | 302.03 g/mol |
| LogP | 3.76079 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.02808 |
| Heavy Atoms | 20 |
| Complexity | 898.0044 |
Chemical Identifiers
| CAS Number | 35976-97-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC(=CC=C3)Cl |
Product Overview
3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 35976-97-7), with molecular formula C15H11ClN2OS and molecular weight 302.03 g/mol. IUPAC: 3-[(3-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 3.76079 indicates that 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one 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 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 35976-97-7.
What is the molecular formula of 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C15H11ClN2OS.
What is the molecular weight of 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 302.03 g/mol.
Where can I buy 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.