3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid
TL;DR: 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid (CAS 332885-93-5) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethylsulfanylbenzimidazol-1-yl)propanoic acid
Also Known As: 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid, BAS 00511060, 3-(2-ethylsulfanylbenzimidazol-1-yl)propanoic acid, 3-(2-ethylthiobenzimidazolyl)propanoic acid, 3-(2-(Ethylthio)-1H-benzo[d]imidazol-1-yl)propanoic acid
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 332885-93-5 |
|---|---|
| SMILES | CCSC1=NC2=CC=CC=C2N1CCC(=O)O |
| InChIKey | PPQRWDAQXQFDAT-UHFFFAOYSA-N |
Product Overview
3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid (CAS 332885-93-5), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 3-(2-ethylsulfanylbenzimidazol-1-yl)propanoic acid.
Chemical Property Profile of 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid
Property Insights of 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid. Following Lipinski's Rule of Five, 3-(2-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-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid?
The CAS number of 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid is 332885-93-5.
What is the molecular formula of 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid?
The molecular formula of 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid is C12H14N2O2S.
What is the molecular weight of 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid?
The molecular weight of 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid is 250.08 g/mol.
Where can I buy 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid?
You can request a quote for 3-(2-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-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.