![ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate structure](/static/products/392/39216-18-7.png)
ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate
TL;DR: ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate (CAS 39216-18-7) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(2-aminoanilino)but-2-enoate
Also Known As: ethyl 3-(2-aminoanilino)but-2-enoate, ethyl (E)-3-(2-aminoanilino)but-2-enoate, ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate, ETHYL 3-[(2-AMINOPHENYL)AMINO]BUT-2-ENOATE, 3-[(2-aminophenyl)amino]-2-butenoic acid ethyl ester
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 39216-18-7 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/NC1=CC=CC=C1N |
| InChIKey | QIYDEADWGTUJTL-CMDGGOBGSA-N |
Product Overview
ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate (CAS 39216-18-7), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: ethyl (E)-3-(2-aminoanilino)but-2-enoate.
Chemical Property Profile of ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate
Property Insights of ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate. Following Lipinski's Rule of Five, ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate has 2 hydrogen bond donor(s) and 4 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 ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate?
The CAS number of ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate is 39216-18-7.
What is the molecular formula of ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate?
The molecular formula of ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate is C12H16N2O2.
What is the molecular weight of ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate?
The molecular weight of ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate is 220.12 g/mol.
Where can I buy ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate?
You can request a quote for ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-3-[(2-aminophenyl)amino]but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.