(2-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid
TL;DR: (2-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid (CAS 312929-75-2) 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-butylsulfanylbenzimidazol-1-yl)acetic acid
Also Known As: (2-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid, 2-(2-butylsulfanylbenzimidazol-1-yl)acetic acid, BAS 00385256, [2-(butylthio)-1H-benzimidazol-1-yl]acetic acid, [2-(butylsulfanyl)-1H-benzimidazol-1-yl]acetic acid
| Molecular Formula | C13H16N2O2S |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 3.0131 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.09326 |
| Heavy Atoms | 18 |
| Complexity | 550.91486 |
Chemical Identifiers
| CAS Number | 312929-75-2 |
|---|---|
| SMILES | CCCCSC1=NC2=CC=CC=C2N1CC(=O)O |
Product Overview
(2-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid (CAS 312929-75-2), with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol. IUPAC: 2-(2-butylsulfanylbenzimidazol-1-yl)acetic acid.
Chemical Property Profile of (2-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid
Property Insights of (2-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid
The XLogP value of 3.0131 indicates that (2-Butylsulfanyl-benzoimidazol-1-yl)-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-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Butylsulfanyl-benzoimidazol-1-yl)-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-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid?
The CAS number of (2-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid is 312929-75-2.
What is the molecular formula of (2-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid?
The molecular formula of (2-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid is C13H16N2O2S.
What is the molecular weight of (2-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid?
The molecular weight of (2-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid is 264.09 g/mol.
Where can I buy (2-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid?
You can request a quote for (2-Butylsulfanyl-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-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.