ChemDiv1_010890
TL;DR: ChemDiv1_010890 (CAS 1164549-42-1) is a chemical compound with molecular formula C23H22N6O3S and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide
Also Known As: ChemDiv1_010890, N-(4,6-dimethylpyrimidin-2-yl)-4-[[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]benzenesulfonamide, (E)-N-(4,6-dimethylpyrimidin-2-yl)-4-(((3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzenesulfonamide, 4-{[(4-{[(4,6-dimethylpyrimidin-2-yl)amino]sulfonyl}phenyl)amino]methylene}-3- methyl-1-phenyl-1,2-diazolin-5-one, N-(4,6-dimethyl-2-pyrimidinyl)-4-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzenesulfonamide
| Molecular Formula | C23H22N6O3S |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 3.43226 |
| Topological Polar Surface Area | 122.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.1474 |
| Heavy Atoms | 33 |
| Complexity | 1467.4463 |
Chemical Identifiers
| CAS Number | 1164549-42-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C(NN(C3=O)C4=CC=CC=C4)C)C |
Product Overview
ChemDiv1_010890 (CAS 1164549-42-1), with molecular formula C23H22N6O3S and molecular weight 462.15 g/mol. IUPAC: N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide.
Chemical Property Profile of ChemDiv1_010890
Property Insights of ChemDiv1_010890
The XLogP value of 3.43226 indicates that ChemDiv1_010890 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010890. Following Lipinski's Rule of Five, ChemDiv1_010890 has 2 hydrogen bond donor(s) and 6 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_010890?
The CAS number of ChemDiv1_010890 is 1164549-42-1.
What is the molecular formula of ChemDiv1_010890?
The molecular formula of ChemDiv1_010890 is C23H22N6O3S.
What is the molecular weight of ChemDiv1_010890?
The molecular weight of ChemDiv1_010890 is 462.15 g/mol.
Where can I buy ChemDiv1_010890?
You can request a quote for ChemDiv1_010890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010890?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.