RefChem:1058498
TL;DR: RefChem:1058498 (CAS 145865-74-3) is a chemical compound with molecular formula C14H16N4O4S and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[(E)-benzylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate
Also Known As: Ethyl 1-methyl-3-(((phenylmethylene)hydrazino)sulfonyl)-1H-pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(((phenylmethylene)hydrazino)sulfonyl)-, ethyl ester, 3-[[2-(Benzylidene)hydrazino]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester, ethyl 1-methyl-3-[N'-(phenylmethylidene)hydrazinesulfonyl]-1H-pyrazole-4-carboxylate, RefChem:1058498
| Molecular Formula | C14H16N4O4S |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 0.9092 |
| Topological Polar Surface Area | 102.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.08923 |
| Heavy Atoms | 23 |
| Complexity | 812.55774 |
Chemical Identifiers
| CAS Number | 145865-74-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN(N=C1S(=O)(=O)N/N=C/C2=CC=CC=C2)C |
Product Overview
RefChem:1058498 (CAS 145865-74-3), with molecular formula C14H16N4O4S and molecular weight 336.09 g/mol. IUPAC: ethyl 3-[[(E)-benzylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate.
Chemical Property Profile of RefChem:1058498
Property Insights of RefChem:1058498
The XLogP value of 0.9092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058498. The TPSA of 102.65 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058498. Following Lipinski's Rule of Five, RefChem:1058498 has 1 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:1058498?
The CAS number of RefChem:1058498 is 145865-74-3.
What is the molecular formula of RefChem:1058498?
The molecular formula of RefChem:1058498 is C14H16N4O4S.
What is the molecular weight of RefChem:1058498?
The molecular weight of RefChem:1058498 is 336.09 g/mol.
Where can I buy RefChem:1058498?
You can request a quote for RefChem:1058498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058498?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.