Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester
TL;DR: Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester (CAS 122199-02-4) is a chemical compound with molecular formula C17H22ClNO4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-(4-acetamidobutanoyl)-5-chlorophenyl]propanoate
Also Known As: Ethyl 2-(4-acetamidobutyryl)-5-chlorohydrocinnamate, Ethyl 2-(4-(acetylamino)-1-oxobutyl)-5-chlorobenzenepropanoate, Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester, ethyl 3-[2-(4-acetamidobutanoyl)-5-chlorophenyl]propanoate, Benzenepropanoic acid,2-[4-(acetylamino)-1-oxobutyl]-5-chloro-, ethyl ester
| Molecular Formula | C17H22ClNO4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 2.9347 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 339.12375 |
| Heavy Atoms | 23 |
| Complexity | 571.71185 |
Chemical Identifiers
| CAS Number | 122199-02-4 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C=CC(=C1)Cl)C(=O)CCCNC(=O)C |
Product Overview
Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester (CAS 122199-02-4), with molecular formula C17H22ClNO4 and molecular weight 339.12 g/mol. IUPAC: ethyl 3-[2-(4-acetamidobutanoyl)-5-chlorophenyl]propanoate.
Chemical Property Profile of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester
Property Insights of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester
The XLogP value of 2.9347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester. Following Lipinski's Rule of Five, Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester has 1 hydrogen bond donor(s) and 4 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 Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester?
The CAS number of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester is 122199-02-4.
What is the molecular formula of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester?
The molecular formula of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester is C17H22ClNO4.
What is the molecular weight of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester?
The molecular weight of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester is 339.12 g/mol.
Where can I buy Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester?
You can request a quote for Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.