4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid
TL;DR: 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid (CAS 54346-70-2) is a chemical compound with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-benzimidazol-2-ylamino)-4-oxobutanoic acid
Also Known As: 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid, N-(1H-Benzoimidazol-2-yl)succinamic acid, 2-(3-carboxypropanoylamino)-benzimidazole, 3-(1H-benzoimidazol-2-ylcarbamoyl)propanoic acid, 4-((1H-Benzo[d]imidazol-2-yl)amino)-4-oxobutanoic acid
| Molecular Formula | C11H11N3O3 |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.08005 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 54346-70-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)NC(=O)CCC(=O)O |
| InChIKey | BAJILOQVAQUQQZ-UHFFFAOYSA-N |
Product Overview
4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid (CAS 54346-70-2), with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol. IUPAC: 4-(1H-benzimidazol-2-ylamino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid
Property Insights of 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 4 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 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid?
The CAS number of 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid is 54346-70-2.
What is the molecular formula of 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid?
The molecular formula of 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid is C11H11N3O3.
What is the molecular weight of 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid?
The molecular weight of 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid is 233.08 g/mol.
Where can I buy 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid?
You can request a quote for 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-Benzimidazol-2-ylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.