3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid
TL;DR: 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid (CAS 1704095-53-3) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
Also Known As: TimTec1_007386, 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid, BAS 04376999, 3- -2-METHYL-PROPIONICACID, 2-methyl-3-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
| Molecular Formula | C14H18N2O2 |
|---|---|
| Molecular Weight | 246.14 g/mol |
| LogP | 2.8804 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.13683 |
| Heavy Atoms | 18 |
| Complexity | 572.17773 |
Chemical Identifiers
| CAS Number | 1704095-53-3 |
|---|---|
| SMILES | CC(C)C1=NC2=CC=CC=C2N1CC(C)C(=O)O |
Product Overview
3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid (CAS 1704095-53-3), with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol. IUPAC: 2-methyl-3-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid.
Chemical Property Profile of 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid
Property Insights of 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid
The XLogP value of 2.8804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid has 1 hydrogen bond donor(s) and 2 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-benzoimidazol-1-yl)-2-methyl-propionic acid?
The CAS number of 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid is 1704095-53-3.
What is the molecular formula of 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid?
The molecular formula of 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid is C14H18N2O2.
What is the molecular weight of 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid?
The molecular weight of 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid is 246.14 g/mol.
Where can I buy 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid?
You can request a quote for 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic 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-benzoimidazol-1-yl)-2-methyl-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Isopropyl-benzoimidazol-1-yl)-2-methyl-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.