ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate
TL;DR: ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate (CAS 216876-53-8) is a chemical compound with molecular formula C16H16ClNO5 and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate
Also Known As: ETHYL 3-(4-CHLOROANILINE)-2-(2,5-DIOXOTETRAHYDROFURAN-3-YL)BUT-2-ENOATE, ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate, Ethyl 3-(4-chloroaniline)-2-(2,5-dioxotetrahydrofuran-3-yl)but-2enoate, ethyl 3-(4-chloroanilino)-2-(2,5-dioxotetrahydrofuran-3-yl)but-2-enoate, Ethyl 3-[(4-chlorophenyl)amino]-2-(2,5-dioxooxolan-3-yl)but-2-enoate
| Molecular Formula | C16H16ClNO5 |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 2.6787 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.0717 |
| Heavy Atoms | 23 |
| Complexity | 665.5531 |
Chemical Identifiers
| CAS Number | 216876-53-8 |
|---|---|
| SMILES | CCOC(=O)/C(=C(/C)\NC1=CC=C(C=C1)Cl)/C2CC(=O)OC2=O |
Product Overview
ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate (CAS 216876-53-8), with molecular formula C16H16ClNO5 and molecular weight 337.07 g/mol. IUPAC: ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate.
Chemical Property Profile of ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate
Property Insights of ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate
The XLogP value of 2.6787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate. Following Lipinski's Rule of Five, ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate has 1 hydrogen bond donor(s) and 6 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 (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate?
The CAS number of ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate is 216876-53-8.
What is the molecular formula of ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate?
The molecular formula of ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate is C16H16ClNO5.
What is the molecular weight of ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate?
The molecular weight of ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate is 337.07 g/mol.
Where can I buy ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate?
You can request a quote for ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)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 (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (Z)-3-(4-chloroanilino)-2-(2,5-dioxooxolan-3-yl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.