ChemDiv1_013431
TL;DR: ChemDiv1_013431 (CAS 422287-33-0) is a chemical compound with molecular formula C24H21BrN4O4S2 and molecular weight 572.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Also Known As: ChemDiv1_013431, F3168-1801, 4-((6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(4-sulfamoylphenethyl)benzamide, 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
| Molecular Formula | C24H21BrN4O4S2 |
|---|---|
| Molecular Weight | 572.02 g/mol |
| LogP | 3.48979 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 572.01874 |
| Heavy Atoms | 35 |
| Complexity | 1627.9412 |
Chemical Identifiers
| CAS Number | 422287-33-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S)S(=O)(=O)N |
Product Overview
ChemDiv1_013431 (CAS 422287-33-0), with molecular formula C24H21BrN4O4S2 and molecular weight 572.02 g/mol. IUPAC: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
Chemical Property Profile of ChemDiv1_013431
Property Insights of ChemDiv1_013431
The XLogP value of 3.48979 indicates that ChemDiv1_013431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013431. Following Lipinski's Rule of Five, ChemDiv1_013431 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013431?
The CAS number of ChemDiv1_013431 is 422287-33-0.
What is the molecular formula of ChemDiv1_013431?
The molecular formula of ChemDiv1_013431 is C24H21BrN4O4S2.
What is the molecular weight of ChemDiv1_013431?
The molecular weight of ChemDiv1_013431 is 572.02 g/mol.
Where can I buy ChemDiv1_013431?
You can request a quote for ChemDiv1_013431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013431?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.