3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid
TL;DR: 3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid (CAS 680-05-7) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid
Also Known As: 3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid, Methyl Heptafluoroisobutyrate, 3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid, 6659AE, BAS 10145176
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.12784 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 543.1875 |
Chemical Identifiers
| CAS Number | 680-05-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)CCC(=O)O |
Product Overview
3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid (CAS 680-05-7), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid.
Chemical Property Profile of 3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid
Property Insights of 3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid
The XLogP value of 2.12784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5,6-Dimethyl-benzoimidazol-1-yl)-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-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid?
The CAS number of 3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid is 680-05-7.
What is the molecular formula of 3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid?
The molecular formula of 3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid is C12H14N2O2.
What is the molecular weight of 3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid?
The molecular weight of 3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid is 218.11 g/mol.
Where can I buy 3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid?
You can request a quote for 3-(5,6-Dimethyl-benzoimidazol-1-yl)-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-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5,6-Dimethyl-benzoimidazol-1-yl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.