2'-Ethylmaleanilic acid
TL;DR: 2'-Ethylmaleanilic acid (CAS 87489-40-5) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(2-ethylanilino)-4-oxobut-2-enoic acid
Also Known As: 2'-ETHYLMALEANILIC ACID, (E)-4-(2-ethylanilino)-4-oxobut-2-enoic acid, 4-((2-Ethylphenyl)amino)-4-oxobut-2-enoic acid, 4-[(2-ethylphenyl)amino]-4-oxobut-2-enoic acid, 4-((2-Ethylphenyl)amino)-4-oxobut-2-enoicacid
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 87489-40-5 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)/C=C/C(=O)O |
| InChIKey | HWJURJPNHHFMHJ-BQYQJAHWSA-N |
Product Overview
2'-Ethylmaleanilic acid (CAS 87489-40-5), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: (E)-4-(2-ethylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 2'-Ethylmaleanilic acid
Property Insights of 2'-Ethylmaleanilic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Ethylmaleanilic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Ethylmaleanilic acid. Following Lipinski's Rule of Five, 2'-Ethylmaleanilic acid has 2 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'-Ethylmaleanilic acid?
The CAS number of 2'-Ethylmaleanilic acid is 87489-40-5.
What is the molecular formula of 2'-Ethylmaleanilic acid?
The molecular formula of 2'-Ethylmaleanilic acid is C12H13NO3.
What is the molecular weight of 2'-Ethylmaleanilic acid?
The molecular weight of 2'-Ethylmaleanilic acid is 219.09 g/mol.
Where can I buy 2'-Ethylmaleanilic acid?
You can request a quote for 2'-Ethylmaleanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Ethylmaleanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 2'-Ethylmaleanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.