3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid
TL;DR: 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid (CAS 95242-09-4) 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-(1H-benzimidazol-2-yl)-2,2-dimethylpropanoic acid
Also Known As: ChemDiv2_001845, 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid, 3-(1H-Benzo[d]imidazol-2-yl)-2,2-dimethylpropanoic acid, 3-(1H-benzimidazol-2-yl)-2,2-dimethylpropanoic acid, 3-(2-Benzimidazolyl)-2,2-dimethylpropanoic Acid
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.2162 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 495.55322 |
Chemical Identifiers
| CAS Number | 95242-09-4 |
|---|---|
| SMILES | CC(C)(CC1=NC2=CC=CC=C2N1)C(=O)O |
Product Overview
3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid (CAS 95242-09-4), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 3-(1H-benzimidazol-2-yl)-2,2-dimethylpropanoic acid.
Chemical Property Profile of 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid
Property Insights of 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid
The XLogP value of 2.2162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid. Following Lipinski's Rule of Five, 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid has 2 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-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid?
The CAS number of 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid is 95242-09-4.
What is the molecular formula of 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid?
The molecular formula of 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid is C12H14N2O2.
What is the molecular weight of 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid?
The molecular weight of 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid is 218.11 g/mol.
Where can I buy 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid?
You can request a quote for 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.