(2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid
TL;DR: (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid (CAS 402944-74-5) is a chemical compound with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(2-methylbenzimidazol-1-yl)-4-oxobut-2-enoic acid
Also Known As: IFLab1_003981, (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid, (E)-4-(2-methylbenzimidazol-1-yl)-4-oxobut-2-enoic acid
| Molecular Formula | C12H10N2O3 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 1.62572 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.06914 |
| Heavy Atoms | 17 |
| Complexity | 625.71246 |
Chemical Identifiers
| CAS Number | 402944-74-5 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N1C(=O)/C=C/C(=O)O |
Product Overview
(2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid (CAS 402944-74-5), with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol. IUPAC: (E)-4-(2-methylbenzimidazol-1-yl)-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid
Property Insights of (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid
The XLogP value of 1.62572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-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-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid?
The CAS number of (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid is 402944-74-5.
What is the molecular formula of (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid?
The molecular formula of (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid is C12H10N2O3.
What is the molecular weight of (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid?
The molecular weight of (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid is 230.07 g/mol.
Where can I buy (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid?
You can request a quote for (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-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-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-(2-methylbenzimidazolyl)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.