![(2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid structure](/static/products/488/488122-10-7.png)
(2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid
TL;DR: (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid (CAS 488122-10-7) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-(2-propan-2-ylbenzimidazol-1-yl)but-2-enoic acid
Also Known As: 4-oxo-4-(2-propan-2-ylbenzoimidazol-1-yl)but-2-enoic Acid, (E)-4-oxo-4-(2-propan-2-ylbenzimidazol-1-yl)but-2-enoic acid, (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid, (E)-4-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-4-oxobut-2-enoic acid
| Molecular Formula | C14H14N2O3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 2.4407 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.10043 |
| Heavy Atoms | 19 |
| Complexity | 668.381 |
Chemical Identifiers
| CAS Number | 488122-10-7 |
|---|---|
| SMILES | CC(C)C1=NC2=CC=CC=C2N1C(=O)/C=C/C(=O)O |
Product Overview
(2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid (CAS 488122-10-7), with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol. IUPAC: (E)-4-oxo-4-(2-propan-2-ylbenzimidazol-1-yl)but-2-enoic acid.
Chemical Property Profile of (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid
Property Insights of (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid
The XLogP value of 2.4407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid. Following Lipinski's Rule of Five, (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic 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 (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid?
The CAS number of (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid is 488122-10-7.
What is the molecular formula of (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid?
The molecular formula of (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid is C14H14N2O3.
What is the molecular weight of (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid?
The molecular weight of (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid is 258.10 g/mol.
Where can I buy (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid?
You can request a quote for (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-oxo-4-[2-(propan-2-yl)-1H-benzimidazol-1-yl]but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.