![[2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate structure](/static/products/3898/389815-70-7.webp)
[2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate
TL;DR: [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate (CAS 389815-70-7) is a chemical compound with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate
Also Known As: [2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate|2-(2-Chloro-4-methylanilino)-2-oxoethyl 3-phenylpropanoate|(2-chloro-4-methyl-phenyl)carbamoylmethyl 3-phenylpropanoate|MLS001166690|SMR000590853
| Molecular Formula | C18H18ClNO3 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.76292 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.09753 |
| Heavy Atoms | 23 |
| Complexity | 685.92096 |
Chemical Identifiers
| CAS Number | 389815-70-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=CC=CC=C2)Cl |
Product Overview
[2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate (CAS 389815-70-7), with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol. IUPAC: [2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate.
Chemical Property Profile of [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate
Property Insights of [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate
The XLogP value of 3.76292 indicates that [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate 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-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate?
The CAS number of [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate is 389815-70-7.
What is the molecular formula of [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate?
The molecular formula of [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate is C18H18ClNO3.
What is the molecular weight of [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate?
The molecular weight of [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate is 331.10 g/mol.
Where can I buy [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate?
You can request a quote for [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.