Ethyl 3-(4-chloroanilino)crotonate
TL;DR: Ethyl 3-(4-chloroanilino)crotonate (CAS 56963-63-4) is a chemical compound with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(4-chloroanilino)but-2-enoate
Also Known As: ethyl 3-(4-chloroanilino)crotonate, ethyl 3-[(4-chlorophenyl)amino]but-2-enoate, ethyl b-(p-chloroanilino)crotonate, Ethyl 3-(p-chloroanilino)crotonate, LABOTEST-BB LT00455424
| Molecular Formula | C12H14ClNO2 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 3.2188 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.0713 |
| Heavy Atoms | 16 |
| Complexity | 384.51016 |
Chemical Identifiers
| CAS Number | 56963-63-4 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/NC1=CC=C(C=C1)Cl |
Product Overview
Ethyl 3-(4-chloroanilino)crotonate (CAS 56963-63-4), with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol. IUPAC: ethyl (E)-3-(4-chloroanilino)but-2-enoate.
Chemical Property Profile of Ethyl 3-(4-chloroanilino)crotonate
Property Insights of Ethyl 3-(4-chloroanilino)crotonate
The XLogP value of 3.2188 indicates that Ethyl 3-(4-chloroanilino)crotonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl 3-(4-chloroanilino)crotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-chloroanilino)crotonate 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 Ethyl 3-(4-chloroanilino)crotonate?
The CAS number of Ethyl 3-(4-chloroanilino)crotonate is 56963-63-4.
What is the molecular formula of Ethyl 3-(4-chloroanilino)crotonate?
The molecular formula of Ethyl 3-(4-chloroanilino)crotonate is C12H14ClNO2.
What is the molecular weight of Ethyl 3-(4-chloroanilino)crotonate?
The molecular weight of Ethyl 3-(4-chloroanilino)crotonate is 239.07 g/mol.
Where can I buy Ethyl 3-(4-chloroanilino)crotonate?
You can request a quote for Ethyl 3-(4-chloroanilino)crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-chloroanilino)crotonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-chloroanilino)crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.