4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid
TL;DR: 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid (CAS 5439-95-2) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)butanoic acid
Also Known As: 4-(2-oxooctahydro-1h-benzimidazol-5-yl)butanoic acid, 4-(2-oxo-octahydro-benzimidazol-5-yl)-butyric acid, 4-(2-Oxooctahydro-1H-benzo[d]imidazol-5-yl)butanoic acid, 4-(2-Oxooctahydro-1H-1,3-benzimidazol-5-yl)butanoic acid, 4-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)butanoic acid
| Molecular Formula | C11H18N2O3 |
|---|---|
| Molecular Weight | 226.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.13174 |
| Heavy Atoms | 16 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 5439-95-2 |
|---|---|
| SMILES | C1CC2C(CC1CCCC(=O)O)NC(=O)N2 |
| InChIKey | LRUOIOPHUZRRFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid (CAS 5439-95-2), with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol. IUPAC: 4-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)butanoic acid.
Chemical Property Profile of 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid
Property Insights of 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic 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-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid?
The CAS number of 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid is 5439-95-2.
What is the molecular formula of 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid?
The molecular formula of 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid is C11H18N2O3.
What is the molecular weight of 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid?
The molecular weight of 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid is 226.13 g/mol.
Where can I buy 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid?
You can request a quote for 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic 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-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.