![2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid structure](/static/products/7261/726152-80-3.webp)
2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid
TL;DR: 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid (CAS 726152-80-3) is a chemical compound with molecular formula C17H13F3N2O2S and molecular weight 366.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
Also Known As: 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid, IDI1_007746, (1-Benzyl-5-trifluoromethyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid, 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid, {[1-benzyl-5-(trifluoromethyl)-1,3-benzodiazol-2-yl]sulfanyl}acetic acid
| Molecular Formula | C17H13F3N2O2S |
|---|---|
| Molecular Weight | 366.06 g/mol |
| LogP | 4.2801 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.06497 |
| Heavy Atoms | 25 |
| Complexity | 907.3921 |
Chemical Identifiers
| CAS Number | 726152-80-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCC(=O)O |
Product Overview
2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid (CAS 726152-80-3), with molecular formula C17H13F3N2O2S and molecular weight 366.06 g/mol. IUPAC: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid.
Chemical Property Profile of 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid
Property Insights of 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid
The XLogP value of 4.2801 indicates that 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic 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, 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic 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 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid?
The CAS number of 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid is 726152-80-3.
What is the molecular formula of 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid?
The molecular formula of 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid is C17H13F3N2O2S.
What is the molecular weight of 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid?
The molecular weight of 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid is 366.06 g/mol.
Where can I buy 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid?
You can request a quote for 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.