7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
TL;DR: 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone (CAS 6736-96-5) is a chemical compound with molecular formula C14H9ClN2OS and molecular weight 288.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone, 7-Chloro-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 7-chloro-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one, 7-Chloro-2-mercapto-3-phenyl-3H-quinazolin-4-one, 7-Chloro-2,3-dihydro-3-phenyl-2-thioxo-1H-quinazolin-4-one
| Molecular Formula | C14H9ClN2OS |
|---|---|
| Molecular Weight | 288.01 g/mol |
| LogP | 3.70169 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.01242 |
| Heavy Atoms | 19 |
| Complexity | 867.98865 |
Chemical Identifiers
| CAS Number | 6736-96-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=S |
Product Overview
7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone (CAS 6736-96-5), with molecular formula C14H9ClN2OS and molecular weight 288.01 g/mol. IUPAC: 7-chloro-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
Property Insights of 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
The XLogP value of 3.70169 indicates that 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone 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 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone?
The CAS number of 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone is 6736-96-5.
What is the molecular formula of 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone?
The molecular formula of 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone is C14H9ClN2OS.
What is the molecular weight of 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone?
The molecular weight of 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone is 288.01 g/mol.
Where can I buy 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone?
You can request a quote for 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.