RefChem:1071538
TL;DR: RefChem:1071538 (CAS 160857-60-3) is a chemical compound with molecular formula C21H22N6O6S and molecular weight 486.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-(4-nitrophenyl)methylideneamino]-3,6-dihydro-2H-pyridine-4-carboxamide
Also Known As: 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-1-(((4-(acetylamino)phenyl)sulfonyl)amino)-, ((4-nitrophenyl)methylene)hydrazide, N -(4-Nitrobenzylidene)-1,2,3,6-tetrahydro-1-[[[4-(acetylamino)phenyl]sulfonyl]amino]pyridine-4-carbohydrazide, N-{4-[(4-{N'-[(4-nitrophenyl)methylidene]hydrazinecarbonyl}-1,2,3,6-tetrahydropyridin-1-yl)sulfamoyl]phenyl}acetamide, RefChem:1071538
| Molecular Formula | C21H22N6O6S |
|---|---|
| Molecular Weight | 486.13 g/mol |
| LogP | 1.5289 |
| Topological Polar Surface Area | 163.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.13214 |
| Heavy Atoms | 34 |
| Complexity | 1239.5199 |
Chemical Identifiers
| CAS Number | 160857-60-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2CCC(=CC2)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
RefChem:1071538 (CAS 160857-60-3), with molecular formula C21H22N6O6S and molecular weight 486.13 g/mol. IUPAC: 1-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-(4-nitrophenyl)methylideneamino]-3,6-dihydro-2H-pyridine-4-carboxamide.
Chemical Property Profile of RefChem:1071538
Property Insights of RefChem:1071538
The XLogP value of 1.5289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071538. The TPSA of 163.11 Ų indicates high polarity, suggesting RefChem:1071538 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1071538 has 3 hydrogen bond donor(s) and 8 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 RefChem:1071538?
The CAS number of RefChem:1071538 is 160857-60-3.
What is the molecular formula of RefChem:1071538?
The molecular formula of RefChem:1071538 is C21H22N6O6S.
What is the molecular weight of RefChem:1071538?
The molecular weight of RefChem:1071538 is 486.13 g/mol.
Where can I buy RefChem:1071538?
You can request a quote for RefChem:1071538 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071538?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071538 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.