![4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid structure](/static/products/193/193534-10-0.png)
4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid
TL;DR: 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid (CAS 193534-10-0) is a chemical compound with molecular formula C13H15N3O3 and molecular weight 261.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoic acid
Also Known As: A3508/0148595, 3-[N-(2-benzimidazol-2-ylethyl)carbamoyl]propanoic acid, 4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoic acid, 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid, 4-((2-(1H-benzo[d]imidazol-2-yl)ethyl)amino)-4-oxobutanoic acid
| Molecular Formula | C13H15N3O3 |
|---|---|
| Molecular Weight | 261.11 g/mol |
| LogP | 1.0864 |
| Topological Polar Surface Area | 95.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.11133 |
| Heavy Atoms | 19 |
| Complexity | 558.5859 |
Chemical Identifiers
| CAS Number | 193534-10-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CCNC(=O)CCC(=O)O |
Product Overview
4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid (CAS 193534-10-0), with molecular formula C13H15N3O3 and molecular weight 261.11 g/mol. IUPAC: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid
Property Insights of 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid
The XLogP value of 1.0864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid. The TPSA of 95.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid has 3 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 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid?
The CAS number of 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid is 193534-10-0.
What is the molecular formula of 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid is C13H15N3O3.
What is the molecular weight of 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid is 261.11 g/mol.
Where can I buy 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-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-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.