2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
TL;DR: 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid (CAS 387358-46-5) 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.
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
Also Known As: 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid, BAS 00129250, 1-Acetyl-4-cyclopropylaminopiperidine, 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid, methyl 5,6-dimethyl-2-benzimidazolylmercaptoacetic acid
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 387358-46-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N=C(N2)SC(C)C(=O)O |
| InChIKey | GFGCQEDWLTXSCR-UHFFFAOYSA-N |
Product Overview
2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid (CAS 387358-46-5), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
Property Insights of 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
The XLogP value of 3.1 indicates that 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid. Following Lipinski's Rule of Five, 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid has 2 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 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid?
The CAS number of 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid is 387358-46-5.
What is the molecular formula of 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid?
The molecular formula of 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid is C12H14N2O2S.
What is the molecular weight of 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid?
The molecular weight of 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid is 250.08 g/mol.
Where can I buy 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid?
You can request a quote for 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.