![3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid structure](/static/products/3139/313958-06-4.webp)
3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid
TL;DR: 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid (CAS 313958-06-4) is a chemical compound with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-(3-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid
Also Known As: BAS 01181921, 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid, 3-[2-[2-(3-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid, A2155/0090516, 3-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)propanoic acid
| Molecular Formula | C19H20N2O3S |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 3.99052 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.11948 |
| Heavy Atoms | 25 |
| Complexity | 875.98663 |
Chemical Identifiers
| CAS Number | 313958-06-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O |
Product Overview
3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid (CAS 313958-06-4), with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol. IUPAC: 3-[2-[2-(3-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid.
Chemical Property Profile of 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid
Property Insights of 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid
The XLogP value of 3.99052 indicates that 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid. Following Lipinski's Rule of Five, 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid has 1 hydrogen bond donor(s) and 4 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-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid?
The CAS number of 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid is 313958-06-4.
What is the molecular formula of 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid?
The molecular formula of 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid is C19H20N2O3S.
What is the molecular weight of 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid?
The molecular weight of 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid is 356.12 g/mol.
Where can I buy 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid?
You can request a quote for 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-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-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.