ChemDiv1_003700
TL;DR: ChemDiv1_003700 (CAS 111456-19-0) is a chemical compound with molecular formula C22H18N4O5S and molecular weight 450.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
Also Known As: ChemDiv1_003700, BAS 01540647, 2-Oxo-2H-chromene-3-carboxylic acid [4-(4,6-dimethyl-pyrimidin-2-ylsulfamoyl)-ph, N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-oxo-2H-chromene-3-carboxamide, N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)-2-oxo-2H-chromene-3-carboxamide
| Molecular Formula | C22H18N4O5S |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 3.25294 |
| Topological Polar Surface Area | 131.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.0998 |
| Heavy Atoms | 32 |
| Complexity | 1475.0428 |
Chemical Identifiers
| CAS Number | 111456-19-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O)C |
Product Overview
ChemDiv1_003700 (CAS 111456-19-0), with molecular formula C22H18N4O5S and molecular weight 450.10 g/mol. IUPAC: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide.
Chemical Property Profile of ChemDiv1_003700
Property Insights of ChemDiv1_003700
The XLogP value of 3.25294 indicates that ChemDiv1_003700 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003700. Following Lipinski's Rule of Five, ChemDiv1_003700 has 2 hydrogen bond donor(s) and 7 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 ChemDiv1_003700?
The CAS number of ChemDiv1_003700 is 111456-19-0.
What is the molecular formula of ChemDiv1_003700?
The molecular formula of ChemDiv1_003700 is C22H18N4O5S.
What is the molecular weight of ChemDiv1_003700?
The molecular weight of ChemDiv1_003700 is 450.10 g/mol.
Where can I buy ChemDiv1_003700?
You can request a quote for ChemDiv1_003700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003700?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.