RefChem:1058506
TL;DR: RefChem:1058506 (CAS 115703-20-3) is a chemical compound with molecular formula C13H14N4O4S and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[(E)-benzylideneamino]sulfamoyl]-1H-pyrazole-4-carboxylate
Also Known As: Ethyl 3-(((phenylmethylene)hydrazino)sulfonyl)-1H-pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 3-(((phenylmethylene)hydrazino)sulfonyl)-, ethyl ester, ethyl 3-[N'-(phenylmethylidene)hydrazinesulfonyl]-1H-pyrazole-4-carboxylate, 3-[[2-(Benzylidene)hydrazino]sulfonyl]-1H-pyrazole-4-carboxylic acid ethyl ester, RefChem:1058506
| Molecular Formula | C13H14N4O4S |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 0.8988 |
| Topological Polar Surface Area | 113.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.07358 |
| Heavy Atoms | 22 |
| Complexity | 768.3476 |
Chemical Identifiers
| CAS Number | 115703-20-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NN=C1)S(=O)(=O)N/N=C/C2=CC=CC=C2 |
Product Overview
RefChem:1058506 (CAS 115703-20-3), with molecular formula C13H14N4O4S and molecular weight 322.07 g/mol. IUPAC: ethyl 5-[[(E)-benzylideneamino]sulfamoyl]-1H-pyrazole-4-carboxylate.
Chemical Property Profile of RefChem:1058506
Property Insights of RefChem:1058506
The XLogP value of 0.8988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058506. The TPSA of 113.51 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058506. Following Lipinski's Rule of Five, RefChem:1058506 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 RefChem:1058506?
The CAS number of RefChem:1058506 is 115703-20-3.
What is the molecular formula of RefChem:1058506?
The molecular formula of RefChem:1058506 is C13H14N4O4S.
What is the molecular weight of RefChem:1058506?
The molecular weight of RefChem:1058506 is 322.07 g/mol.
Where can I buy RefChem:1058506?
You can request a quote for RefChem:1058506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058506?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.