RefChem:1058497
TL;DR: RefChem:1058497 (CAS 115703-19-0) is a chemical compound with molecular formula C14H15N5O6S and molecular weight 381.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-3-[[(E)-(4-nitrophenyl)methylideneamino]sulfamoyl]pyrazole-4-carboxylate
Also Known As: Ethyl 1-methyl-3-((((4-nitrophenyl)methylene)hydrazino)sulfonyl)-1H-pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-((((4-nitrophenyl)methylene)hydrazino)sulfonyl)-, ethyl ester, 3-[[2-(4-Nitrobenzylidene)hydrazino]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester, ethyl 1-methyl-3-{N'-[(4-nitrophenyl)methylidene]hydrazinesulfonyl}-1H-pyrazole-4-carboxylate, RefChem:1058497
| Molecular Formula | C14H15N5O6S |
|---|---|
| Molecular Weight | 381.07 g/mol |
| LogP | 0.8174 |
| Topological Polar Surface Area | 145.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.0743 |
| Heavy Atoms | 26 |
| Complexity | 948.70703 |
Chemical Identifiers
| CAS Number | 115703-19-0 |
|---|---|
| SMILES | CCOC(=O)C1=CN(N=C1S(=O)(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
RefChem:1058497 (CAS 115703-19-0), with molecular formula C14H15N5O6S and molecular weight 381.07 g/mol. IUPAC: ethyl 1-methyl-3-[[(E)-(4-nitrophenyl)methylideneamino]sulfamoyl]pyrazole-4-carboxylate.
Chemical Property Profile of RefChem:1058497
Property Insights of RefChem:1058497
The XLogP value of 0.8174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058497. The TPSA of 145.79 Ų indicates high polarity, suggesting RefChem:1058497 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1058497 has 1 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:1058497?
The CAS number of RefChem:1058497 is 115703-19-0.
What is the molecular formula of RefChem:1058497?
The molecular formula of RefChem:1058497 is C14H15N5O6S.
What is the molecular weight of RefChem:1058497?
The molecular weight of RefChem:1058497 is 381.07 g/mol.
Where can I buy RefChem:1058497?
You can request a quote for RefChem:1058497 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058497?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058497 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.