![N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide structure](/static/products/443/443108-99-4.png)
N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide
TL;DR: N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide (CAS 443108-99-4) is a chemical compound with molecular formula C18H12ClN3O2S2 and molecular weight 401.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-5-oxo-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Also Known As: N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide, N-[(2-chlorophenyl)methyl]-5-oxo-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
| Molecular Formula | C18H12ClN3O2S2 |
|---|---|
| Molecular Weight | 401.01 g/mol |
| LogP | 4.15519 |
| Topological Polar Surface Area | 66.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.00595 |
| Heavy Atoms | 26 |
| Complexity | 1272.8925 |
Chemical Identifiers
| CAS Number | 443108-99-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC(=O)C2=C3NC(=O)C4=CC=CC=C4N3C(=S)S2)Cl |
Product Overview
N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide (CAS 443108-99-4), with molecular formula C18H12ClN3O2S2 and molecular weight 401.01 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-5-oxo-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide.
Chemical Property Profile of N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide
Property Insights of N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide
The XLogP value of 4.15519 indicates that N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide. Following Lipinski's Rule of Five, N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide has 2 hydrogen bond donor(s) and 4 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 N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide?
The CAS number of N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide is 443108-99-4.
What is the molecular formula of N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide?
The molecular formula of N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide is C18H12ClN3O2S2.
What is the molecular weight of N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide?
The molecular weight of N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide is 401.01 g/mol.
Where can I buy N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide?
You can request a quote for N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chlorobenzyl)-5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.