![2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester structure](/static/products/1155/115525-73-0.webp)
2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester
TL;DR: 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester (CAS 115525-73-0) is a chemical compound with molecular formula C12H15ClN2O2 and molecular weight 254.0822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(2-aminoanilino)-2-chlorobut-2-enoate
Also Known As: ethyl 3-(2-aminoanilino)-2-chlorobut-2-enoate, 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester, Ethyl 3-[(2-aminophenyl)amino]-2-chloro-but-2-enoate, ETHYL 3-[(2-AMINOPHENYL)AMINO]-2-CHLOROBUT-2-ENOATE, 2-Butenoic acid,3-[(2-aminophenyl)amino]-2-chloro-,ethyl ester
Technical Specifications
| Molecular Formula | C12H15ClN2O2 |
| Molecular Weight | 254.0822 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.0822 Da |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
| SMILES | CCOC(=O)C(=C(C)NC1=CC=CC=C1N)Cl |
| InChIKey | JBFJITKETSDDSD-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester
Property Insights of 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester
The XLogP value of 3.3 indicates that 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester 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
What is the CAS number of 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester?
The CAS number of 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester is 115525-73-0.
What is the molecular formula of 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester?
The molecular formula of 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester is C12H15ClN2O2.
What is the molecular weight of 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester?
The molecular weight of 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester is 254.0822 g/mol.
Where can I buy 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester?
You can request a quote for 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Butenoic acid, 3-[(2-aminophenyl)amino]-2-chloro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.