![[(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid structure](/static/products/874/874591-56-7.png)
[(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid
TL;DR: [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid (CAS 874591-56-7) 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-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetic acid
Also Known As: Maybridge3_007231, [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid, 8729AD, BAS 07567489, 2-((1-Isopropyl-1H-benzo[d]imidazol-2-yl)thio)acetic acid
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.7939 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 548.42926 |
Chemical Identifiers
| CAS Number | 874591-56-7 |
|---|---|
| SMILES | CC(C)N1C2=CC=CC=C2N=C1SCC(=O)O |
Product Overview
[(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid (CAS 874591-56-7), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetic acid.
Chemical Property Profile of [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid
Property Insights of [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid
The XLogP value of 2.7939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid. With a topological polar surface area (TPSA) of 55.12 Ų, [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-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 [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid?
The CAS number of [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid is 874591-56-7.
What is the molecular formula of [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid?
The molecular formula of [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid is C12H14N2O2S.
What is the molecular weight of [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid?
The molecular weight of [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid is 250.08 g/mol.
Where can I buy [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid?
You can request a quote for [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(1-Isopropyl-1H-benzimidazol-2-yl)thio]-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.