RefChem:1058501
TL;DR: RefChem:1058501 (CAS 145865-71-0) is a chemical compound with molecular formula C14H13N5O4S and molecular weight 347.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[(E)-(4-cyanophenyl)methylideneamino]sulfamoyl]-1H-pyrazole-4-carboxylate
Also Known As: Ethyl 3-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-1H-pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 3-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, ethyl ester, 3-[[2-(4-Cyanobenzylidene)hydrazino]sulfonyl]-1H-pyrazole-4-carboxylic acid ethyl ester, ethyl 3-{N'-[(4-cyanophenyl)methylidene]hydrazinesulfonyl}-1H-pyrazole-4-carboxylate, RefChem:1058501
| Molecular Formula | C14H13N5O4S |
|---|---|
| Molecular Weight | 347.07 g/mol |
| LogP | 0.77048 |
| Topological Polar Surface Area | 137.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.06882 |
| Heavy Atoms | 24 |
| Complexity | 893.99115 |
Chemical Identifiers
| CAS Number | 145865-71-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NN=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)C#N |
Product Overview
RefChem:1058501 (CAS 145865-71-0), with molecular formula C14H13N5O4S and molecular weight 347.07 g/mol. IUPAC: ethyl 5-[[(E)-(4-cyanophenyl)methylideneamino]sulfamoyl]-1H-pyrazole-4-carboxylate.
Chemical Property Profile of RefChem:1058501
Property Insights of RefChem:1058501
The XLogP value of 0.77048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058501. The TPSA of 137.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058501. Following Lipinski's Rule of Five, RefChem:1058501 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 RefChem:1058501?
The CAS number of RefChem:1058501 is 145865-71-0.
What is the molecular formula of RefChem:1058501?
The molecular formula of RefChem:1058501 is C14H13N5O4S.
What is the molecular weight of RefChem:1058501?
The molecular weight of RefChem:1058501 is 347.07 g/mol.
Where can I buy RefChem:1058501?
You can request a quote for RefChem:1058501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058501?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.