![[2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate structure](/static/products/4385/438595-84-7.webp)
[2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate
TL;DR: [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate (CAS 438595-84-7) is a chemical compound with molecular formula C13H14ClNO3 and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate
Also Known As: [2-(4-chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate|2-(4-Chloroanilino)-2-oxoethyl 3-methylbut-2-enoate|MLS001006745|SMR000349734
| Molecular Formula | C13H14ClNO3 |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 2.7879 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.06622 |
| Heavy Atoms | 18 |
| Complexity | 461.62964 |
Chemical Identifiers
| CAS Number | 438595-84-7 |
|---|---|
| SMILES | CC(=CC(=O)OCC(=O)NC1=CC=C(C=C1)Cl)C |
Product Overview
[2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate (CAS 438595-84-7), with molecular formula C13H14ClNO3 and molecular weight 267.07 g/mol. IUPAC: [2-(4-chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate.
Chemical Property Profile of [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate
Property Insights of [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate
The XLogP value of 2.7879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate. With a topological polar surface area (TPSA) of 55.4 Ų, [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate 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 [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate?
The CAS number of [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate is 438595-84-7.
What is the molecular formula of [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate?
The molecular formula of [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate is C13H14ClNO3.
What is the molecular weight of [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate?
The molecular weight of [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate is 267.07 g/mol.
Where can I buy [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate?
You can request a quote for [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.