4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid
TL;DR: 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid (CAS 797780-83-7) is a chemical compound with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-nitro-1H-benzimidazol-2-yl)butanoic acid
Also Known As: BAS 08978619, 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid, 4-(5-Nitro-1H-benzo[d]imidazol-2-yl)butanoic acid, 4-(6-nitro-1H-benzimidazol-2-yl)butanoic acid, 4-(5-nitro-1 h-benzoimidazol-2-yl)-butyric acid
| Molecular Formula | C11H11N3O4 |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | 1.8784 |
| Topological Polar Surface Area | 109.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.07495 |
| Heavy Atoms | 18 |
| Complexity | 605.3542 |
Chemical Identifiers
| CAS Number | 797780-83-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CCCC(=O)O |
Product Overview
4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid (CAS 797780-83-7), with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol. IUPAC: 4-(6-nitro-1H-benzimidazol-2-yl)butanoic acid.
Chemical Property Profile of 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid
Property Insights of 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid
The XLogP value of 1.8784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid. The TPSA of 109.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid. Following Lipinski's Rule of Five, 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid has 2 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-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid?
The CAS number of 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid is 797780-83-7.
What is the molecular formula of 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid?
The molecular formula of 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid is C11H11N3O4.
What is the molecular weight of 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid?
The molecular weight of 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid is 249.07 g/mol.
Where can I buy 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid?
You can request a quote for 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.