3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one
TL;DR: 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one (CAS 102932-04-7) 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.
3-(3-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(3-chloro-phenyl)-2-mercapto-3h-quinazolin-4-one, 3-(3-Chlorophenyl)-2-mercaptoquinazolin-4(3H)-one, 3-(3-chlorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-(3-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-<3-Chlor-phenyl>-2-mercapto-chinazol-4-on
| Molecular Formula | C14H9ClN2OS |
|---|---|
| Molecular Weight | 288.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.01242 |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 102932-04-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC(=CC=C3)Cl |
| InChIKey | AWJSTKNFJYVLBP-UHFFFAOYSA-N |
Product Overview
3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one (CAS 102932-04-7), with molecular formula C14H9ClN2OS and molecular weight 288.01 g/mol. IUPAC: 3-(3-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one
Property Insights of 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one
The XLogP value of 3.4 indicates that 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one. Following Lipinski's Rule of Five, 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-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-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one?
The CAS number of 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one is 102932-04-7.
What is the molecular formula of 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one?
The molecular formula of 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one is C14H9ClN2OS.
What is the molecular weight of 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one?
The molecular weight of 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one is 288.01 g/mol.
Where can I buy 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one?
You can request a quote for 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-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-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-phenyl)-2-mercapto-3h-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.