1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium
TL;DR: 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium (CAS 938058-97-0) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(carboxymethyl)benzimidazol-1-ium-1-yl]acetate
Also Known As: [1-(carboxymethyl)-3H-benzimidazol-1-ium-3-yl]acetate|1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium|1-(carboxylatomethyl)-3-(carboxymethyl)-1H-1,3-benzodiazol-3-ium|2-[3-(carboxymethyl)benzimidazol-1-ium-1-yl]acetate|2-[3-(carboxymethyl)benzoimidazol-1-yl]acetate|1-(Carboxymethyl)-1,3-benzimidazol-3-ium-3-acetate|2-[3-(carboxymethyl)benzimidazol-3-ium-1-yl]acetate|3-(carboxylatomethyl)-1-(carboxymethyl)-1H-1,3-benzodiazol-3-ium|992-426-7|RefChem:414024|MFCD03964559|EN300-04681
| Molecular Formula | C11H10N2O4 |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | -1.2367 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.06406 |
| Heavy Atoms | 17 |
| Complexity | 538.169 |
Chemical Identifiers
| CAS Number | 938058-97-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C=[N+]2CC(=O)[O-])CC(=O)O |
Product Overview
1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium (CAS 938058-97-0), with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol. IUPAC: 2-[3-(carboxymethyl)benzimidazol-1-ium-1-yl]acetate.
Chemical Property Profile of 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium
Property Insights of 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium
The XLogP value of -1.2367 indicates that 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium. Following Lipinski's Rule of Five, 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium has 1 hydrogen bond donor(s) and 3 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 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium?
The CAS number of 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium is 938058-97-0.
What is the molecular formula of 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium?
The molecular formula of 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium is C11H10N2O4.
What is the molecular weight of 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium?
The molecular weight of 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium is 234.06 g/mol.
Where can I buy 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium?
You can request a quote for 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 1,3-bis(carboxymethyl)-1H-1,3-benzodiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.