beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid
TL;DR: beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid (CAS 141245-96-7) is a chemical compound with molecular formula C19H17F3N2O2 and molecular weight 362.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]butanoic acid
Also Known As: beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid, 1H-Benzimidazole-1-propanoic acid, beta-methyl-2-(phenylmethyl)-5-(trifluoromethyl)-, 3-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]butanoic acid, 3-(2-Benzyl-5-trifluoromethyl-1H-benzimidazol-1-yl)butanoic acid, 3-[2-Benzyl-5-(trifluoromethyl)-1H-benzimidazol-1-yl]butanoic acid
| Molecular Formula | C19H17F3N2O2 |
|---|---|
| Molecular Weight | 362.12 g/mol |
| LogP | 4.6816 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.1242 |
| Heavy Atoms | 26 |
| Complexity | 933.10236 |
Chemical Identifiers
| CAS Number | 141245-96-7 |
|---|---|
| SMILES | CC(CC(=O)O)N1C2=C(C=C(C=C2)C(F)(F)F)N=C1CC3=CC=CC=C3 |
Product Overview
beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid (CAS 141245-96-7), with molecular formula C19H17F3N2O2 and molecular weight 362.12 g/mol. IUPAC: 3-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]butanoic acid.
Chemical Property Profile of beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid
Property Insights of beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid
The XLogP value of 4.6816 indicates that beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic 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 beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid?
The CAS number of beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid is 141245-96-7.
What is the molecular formula of beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid?
The molecular formula of beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid is C19H17F3N2O2.
What is the molecular weight of beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid?
The molecular weight of beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid is 362.12 g/mol.
Where can I buy beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid?
You can request a quote for beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for beta-Methyl-2-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazole-1-propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.