ChemDiv1_013439
TL;DR: ChemDiv1_013439 (CAS 422288-37-7) is a chemical compound with molecular formula C22H25BrN4O4S2 and molecular weight 552.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide
Also Known As: ChemDiv1_013439, 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide, F3168-1871, 6-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide, N-{2-[4-(aminosulfonyl)phenyl]ethyl}-6-(6-bromo-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
| Molecular Formula | C22H25BrN4O4S2 |
|---|---|
| Molecular Weight | 552.05 g/mol |
| LogP | 3.38829 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 552.05005 |
| Heavy Atoms | 33 |
| Complexity | 1365.8916 |
Chemical Identifiers
| CAS Number | 422288-37-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CCNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)S(=O)(=O)N |
Product Overview
ChemDiv1_013439 (CAS 422288-37-7), with molecular formula C22H25BrN4O4S2 and molecular weight 552.05 g/mol. IUPAC: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide.
Chemical Property Profile of ChemDiv1_013439
Property Insights of ChemDiv1_013439
The XLogP value of 3.38829 indicates that ChemDiv1_013439 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_013439. Following Lipinski's Rule of Five, ChemDiv1_013439 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_013439?
The CAS number of ChemDiv1_013439 is 422288-37-7.
What is the molecular formula of ChemDiv1_013439?
The molecular formula of ChemDiv1_013439 is C22H25BrN4O4S2.
What is the molecular weight of ChemDiv1_013439?
The molecular weight of ChemDiv1_013439 is 552.05 g/mol.
Where can I buy ChemDiv1_013439?
You can request a quote for ChemDiv1_013439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013439?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.