![3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid structure](/static/products/6136/613656-94-3.webp)
3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid
TL;DR: 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid (CAS 613656-94-3) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
Also Known As: BAS 05305736, 3-(2-Isopropyl-benzoimidazol-1-yl)-propionic acid, 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid, 3-[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]propanoic acid, 3-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 613656-94-3 |
|---|---|
| SMILES | CC(C)C1=NC2=CC=CC=C2N1CCC(=O)O |
| InChIKey | BFFRQVUJZBVVHX-UHFFFAOYSA-N |
Product Overview
3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid (CAS 613656-94-3), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 3-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid.
Chemical Property Profile of 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid
Property Insights of 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid 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 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid?
The CAS number of 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid is 613656-94-3.
What is the molecular formula of 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid?
The molecular formula of 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid is C13H16N2O2.
What is the molecular weight of 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid?
The molecular weight of 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid is 232.12 g/mol.
Where can I buy 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid?
You can request a quote for 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-isopropyl-1H-benzo[d]imidazol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.