8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone
TL;DR: 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone (CAS 331829-90-4) is a chemical compound with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-2-ethylsulfanyl-3-phenylquinazolin-4-one
Also Known As: 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone, 8-chloro-2-ethylsulfanyl-3-phenylquinazolin-4-one, 8-chloro-2-(ethylthio)-3-phenylquinazolin-4(3H)-one, 8-chloro-2-ethylthio-3-phenyl-3-hydroquinazolin-4-one, 8-Chloro-2-(ethylsulfanyl)-3-phenylquinazolin-4(3H)-one
| Molecular Formula | C16H13ClN2OS |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 4.1511 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0437 |
| Heavy Atoms | 21 |
| Complexity | 846.0151 |
Chemical Identifiers
| CAS Number | 331829-90-4 |
|---|---|
| SMILES | CCSC1=NC2=C(C=CC=C2Cl)C(=O)N1C3=CC=CC=C3 |
Product Overview
8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone (CAS 331829-90-4), with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol. IUPAC: 8-chloro-2-ethylsulfanyl-3-phenylquinazolin-4-one.
Chemical Property Profile of 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone
Property Insights of 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone
The XLogP value of 4.1511 indicates that 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone has 0 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 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone?
The CAS number of 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone is 331829-90-4.
What is the molecular formula of 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone?
The molecular formula of 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone is C16H13ClN2OS.
What is the molecular weight of 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone?
The molecular weight of 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone is 316.04 g/mol.
Where can I buy 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone?
You can request a quote for 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-2-(ethylthio)-3-phenyl-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.