(2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid
TL;DR: (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid (CAS 85068-33-3) is a chemical compound with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]acetic acid
Also Known As: (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid, BAS 00385258, 2-(2-(Isobutylthio)-1H-benzo[d]imidazol-1-yl)acetic acid, 3,5-Bis(trifluoromethyl)phenylacetic acid, 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]acetic acid
| Molecular Formula | C13H16N2O2S |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.09326 |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 85068-33-3 |
|---|---|
| SMILES | CC(C)CSC1=NC2=CC=CC=C2N1CC(=O)O |
| InChIKey | RORKUFLJWBBGHV-UHFFFAOYSA-N |
Product Overview
(2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid (CAS 85068-33-3), with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol. IUPAC: 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]acetic acid.
Chemical Property Profile of (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid
Property Insights of (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid
The XLogP value of 3.3 indicates that (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid. Following Lipinski's Rule of Five, (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic 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 (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid?
The CAS number of (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid is 85068-33-3.
What is the molecular formula of (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid?
The molecular formula of (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid is C13H16N2O2S.
What is the molecular weight of (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid?
The molecular weight of (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid is 264.09 g/mol.
Where can I buy (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid?
You can request a quote for (2-Isobutylsulfanyl-benzoimidazol-1-yl)-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-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Isobutylsulfanyl-benzoimidazol-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.