RefChem:1058505
TL;DR: RefChem:1058505 (CAS 145865-72-1) is a chemical compound with molecular formula C13H13N5O6S and molecular weight 367.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[(E)-(4-nitrophenyl)methylideneamino]sulfamoyl]-1H-pyrazole-4-carboxylate
Also Known As: Ethyl 3-((((4-nitrophenyl)methylene)hydrazino)sulfonyl)-1H-pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 3-((((4-nitrophenyl)methylene)hydrazino)sulfonyl)-, ethyl ester, 3-[[2-(4-Nitrobenzylidene)hydrazino]sulfonyl]-1H-pyrazole-4-carboxylic acid ethyl ester, ethyl 3-{N'-[(4-nitrophenyl)methylidene]hydrazinesulfonyl}-1H-pyrazole-4-carboxylate, RefChem:1058505
| Molecular Formula | C13H13N5O6S |
|---|---|
| Molecular Weight | 367.06 g/mol |
| LogP | 0.807 |
| Topological Polar Surface Area | 156.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.05865 |
| Heavy Atoms | 25 |
| Complexity | 903.2457 |
Chemical Identifiers
| CAS Number | 145865-72-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NN=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
RefChem:1058505 (CAS 145865-72-1), with molecular formula C13H13N5O6S and molecular weight 367.06 g/mol. IUPAC: ethyl 5-[[(E)-(4-nitrophenyl)methylideneamino]sulfamoyl]-1H-pyrazole-4-carboxylate.
Chemical Property Profile of RefChem:1058505
Property Insights of RefChem:1058505
The XLogP value of 0.807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058505. The TPSA of 156.65 Ų indicates high polarity, suggesting RefChem:1058505 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1058505 has 2 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:1058505?
The CAS number of RefChem:1058505 is 145865-72-1.
What is the molecular formula of RefChem:1058505?
The molecular formula of RefChem:1058505 is C13H13N5O6S.
What is the molecular weight of RefChem:1058505?
The molecular weight of RefChem:1058505 is 367.06 g/mol.
Where can I buy RefChem:1058505?
You can request a quote for RefChem:1058505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058505?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.