![3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one structure](/static/products/3597/35976-99-9.webp)
3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
TL;DR: 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 35976-99-9) 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-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(4-Chloro-benzyl)-2-mercapto-3H-quinazolin-4-one, 3-[(4-chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-(4-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, US20240366606, Compound C9-3, 3-(4-chlorobenzyl)-2-sulfanylquinazolin-4(3H)-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 | 880.7544 |
Chemical Identifiers
| CAS Number | 35976-99-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl |
Product Overview
3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 35976-99-9), with molecular formula C15H11ClN2OS and molecular weight 302.03 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
Property Insights of 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
The XLogP value of 3.76079 indicates that 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-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-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-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-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The CAS number of 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one is 35976-99-9.
What is the molecular formula of 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one is C15H11ClN2OS.
What is the molecular weight of 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one is 302.03 g/mol.
Where can I buy 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.