2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate
TL;DR: 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate (CAS 462068-66-2) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-3-ethylbenzimidazol-1-ium-1-yl)acetate
Also Known As: 2-(2-amino-3-ethyl-benzoimidazol-1-yl)acetate, 2-(2-amino-3-ethylbenzimidazol-1-ium-1-yl)acetate, (3-Ethyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | -0.7192 |
| Topological Polar Surface Area | 74.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 545.3984 |
Chemical Identifiers
| CAS Number | 462068-66-2 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)[O-] |
Product Overview
2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate (CAS 462068-66-2), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: 2-(2-amino-3-ethylbenzimidazol-1-ium-1-yl)acetate.
Chemical Property Profile of 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate
Property Insights of 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate
The XLogP value of -0.7192 indicates that 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate. Following Lipinski's Rule of Five, 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate 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 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate?
The CAS number of 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate is 462068-66-2.
What is the molecular formula of 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate?
The molecular formula of 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate is C11H13N3O2.
What is the molecular weight of 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate?
The molecular weight of 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate is 219.10 g/mol.
Where can I buy 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate?
You can request a quote for 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Amino-3-ethylbenzimidazol-1-ium-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.