(2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid
TL;DR: (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid (CAS 312754-94-2) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetic acid
Also Known As: (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid, 2-amino-2-methylindan, 3-Hydroxy-2-methylpyridine, 2-(2-(Allylthio)-1H-benzo[d]imidazol-1-yl)acetic acid, 9892AD
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.399 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 562.63104 |
Chemical Identifiers
| CAS Number | 312754-94-2 |
|---|---|
| SMILES | C=CCSC1=NC2=CC=CC=C2N1CC(=O)O |
Product Overview
(2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid (CAS 312754-94-2), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetic acid.
Chemical Property Profile of (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid
Property Insights of (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid
The XLogP value of 2.399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid. With a topological polar surface area (TPSA) of 55.12 Ų, (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Allylsulfanyl-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-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid?
The CAS number of (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid is 312754-94-2.
What is the molecular formula of (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid?
The molecular formula of (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid is C12H12N2O2S.
What is the molecular weight of (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid?
The molecular weight of (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid is 248.06 g/mol.
Where can I buy (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid?
You can request a quote for (2-Allylsulfanyl-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-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.