N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide
TL;DR: N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide (CAS 885458-61-7) is a chemical compound with molecular formula C21H13Cl2N3O2S and molecular weight 441.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide, 2-Mercapto-4-oxo-3-phenyl-3,4-dihydro-quinazoline-7-carboxylic acid (2,5-dichloro-phenyl)-amide, n-(2,5-Dichlorophenyl)-2-mercapto-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide, N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
| Molecular Formula | C21H13Cl2N3O2S |
|---|---|
| Molecular Weight | 441.01 g/mol |
| LogP | 5.60739 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.01056 |
| Heavy Atoms | 29 |
| Complexity | 1364.2151 |
Chemical Identifiers
| CAS Number | 885458-61-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)Cl)Cl)NC2=S |
Product Overview
N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide (CAS 885458-61-7), with molecular formula C21H13Cl2N3O2S and molecular weight 441.01 g/mol. IUPAC: N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide
Property Insights of N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide
The XLogP value of 5.60739 indicates that N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide. Following Lipinski's Rule of Five, N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide?
The CAS number of N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide is 885458-61-7.
What is the molecular formula of N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide?
The molecular formula of N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide is C21H13Cl2N3O2S.
What is the molecular weight of N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide?
The molecular weight of N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide is 441.01 g/mol.
Where can I buy N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide?
You can request a quote for N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,5-dichlorophenyl)-4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.