Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester
TL;DR: Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester (CAS 145865-90-3) is a chemical compound with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-(4-cyanophenyl)methylideneamino]sulfamoyl]benzoate
Also Known As: Methyl 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)benzoate, Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester, methyl 2-{N'-[(4-cyanophenyl)methylidene]hydrazinesulfonyl}benzoate, 2-[[2-(4-Cyanobenzylidene)hydrazino]sulfonyl]benzoic acid methyl ester, RefChem:1078930
| Molecular Formula | C16H13N3O4S |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 1.65728 |
| Topological Polar Surface Area | 108.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.06268 |
| Heavy Atoms | 24 |
| Complexity | 913.08386 |
Chemical Identifiers
| CAS Number | 145865-90-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1S(=O)(=O)N/N=C/C2=CC=C(C=C2)C#N |
Product Overview
Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester (CAS 145865-90-3), with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol. IUPAC: methyl 2-[[(E)-(4-cyanophenyl)methylideneamino]sulfamoyl]benzoate.
Chemical Property Profile of Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester
Property Insights of Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester
The XLogP value of 1.65728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester. The TPSA of 108.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester 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 Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester?
The CAS number of Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester is 145865-90-3.
What is the molecular formula of Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester?
The molecular formula of Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester is C16H13N3O4S.
What is the molecular weight of Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester?
The molecular weight of Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester is 343.06 g/mol.
Where can I buy Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester?
You can request a quote for Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.