Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1)
TL;DR: Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1) (CAS 34703-83-8) is a chemical compound with molecular formula C17H15N3O9S and molecular weight 437.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-nitrobenzenesulfonate;2-hydroxy-2-oxoacetate
Also Known As: Benzenesulfonic acid, p-nitro-, 2-(1-benzimidazolyl)ethyl ester, oxalate, hydrate, 1-BENZIMIDAZOLEETHANOL, p-NITROBENZENESULFONATE (ester), OXALATE,HYDRATE (1:1:1), 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-nitrobenzenesulfonate;2-hydroxy-2-oxoacetate, 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-nitrobenzenesulfonate; 2-hydroxy-2-oxoacetate, 3-(2-{[(4-Nitrophenyl)sulfonyl]oxy}ethyl)-1H-benzimidazol-3-ium hydrogen oxalate
| Molecular Formula | C17H15N3O9S |
|---|---|
| Molecular Weight | 437.05 g/mol |
| LogP | -0.41 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.0529 |
| Heavy Atoms | 30 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 34703-83-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC=[N+]2CCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O |
| InChIKey | CBRGVYYCGFZTQA-UHFFFAOYSA-N |
Product Overview
Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1) (CAS 34703-83-8), with molecular formula C17H15N3O9S and molecular weight 437.05 g/mol. IUPAC: 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-nitrobenzenesulfonate;2-hydroxy-2-oxoacetate.
Chemical Property Profile of Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1)
Property Insights of Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1)
The XLogP value of -0.41 indicates that Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.0 Ų indicates high polarity, suggesting Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1) has 2 hydrogen bond donor(s) and 9 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 Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1)?
The CAS number of Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1) is 34703-83-8.
What is the molecular formula of Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1)?
The molecular formula of Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1) is C17H15N3O9S.
What is the molecular weight of Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1)?
The molecular weight of Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1) is 437.05 g/mol.
Where can I buy Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1)?
You can request a quote for Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.