4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one
TL;DR: 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one (CAS 898444-35-4) is a chemical compound with molecular formula C15H15ClN2OS and molecular weight 306.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-2-one
Also Known As: F2684-0116, 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one, 4-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-2-one, 4-{[(4-chlorophenyl)methyl]sulfanyl}-1,2,5,6,7,8-hexahydroquinazolin-2-one
| Molecular Formula | C15H15ClN2OS |
|---|---|
| Molecular Weight | 306.06 g/mol |
| LogP | 3.5944 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.05936 |
| Heavy Atoms | 20 |
| Complexity | 666.564 |
Chemical Identifiers
| CAS Number | 898444-35-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=NC(=O)N2)SCC3=CC=C(C=C3)Cl |
Product Overview
4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one (CAS 898444-35-4), with molecular formula C15H15ClN2OS and molecular weight 306.06 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
Chemical Property Profile of 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one
Property Insights of 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one
The XLogP value of 3.5944 indicates that 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one has 1 hydrogen bond donor(s) and 3 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 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
The CAS number of 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one is 898444-35-4.
What is the molecular formula of 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
The molecular formula of 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one is C15H15ClN2OS.
What is the molecular weight of 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
The molecular weight of 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one is 306.06 g/mol.
Where can I buy 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
You can request a quote for 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.