Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester
TL;DR: Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester (CAS 122199-01-3) is a chemical compound with molecular formula C18H24ClNO4 and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-[2-(4-acetamidobutanoyl)-5-chlorophenyl]propanoate
Also Known As: Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester, 8-bromo-5-fluoro-isoquinolin-3-ylamine, Isopropyl 2-(4-acetamidobutyryl)-5-chlorohydrocinnamate, propan-2-yl 3-[2-(4-acetamidobutanoyl)-5-chlorophenyl]propanoate, 1-Methylethyl 2-(4-(acetylamino)-1-oxobutyl)-5-chlorobenzenepropanoate
| Molecular Formula | C18H24ClNO4 |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 3.3232 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 353.13937 |
| Heavy Atoms | 24 |
| Complexity | 598.6816 |
Chemical Identifiers
| CAS Number | 122199-01-3 |
|---|---|
| SMILES | CC(C)OC(=O)CCC1=C(C=CC(=C1)Cl)C(=O)CCCNC(=O)C |
Product Overview
Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester (CAS 122199-01-3), with molecular formula C18H24ClNO4 and molecular weight 353.14 g/mol. IUPAC: propan-2-yl 3-[2-(4-acetamidobutanoyl)-5-chlorophenyl]propanoate.
Chemical Property Profile of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester
Property Insights of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester
The XLogP value of 3.3232 indicates that Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-, 1-methylethyl ester. Following Lipinski's Rule of Five, Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl 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-, 1-methylethyl ester?
The CAS number of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester is 122199-01-3.
What is the molecular formula of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester?
The molecular formula of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester is C18H24ClNO4.
What is the molecular weight of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester?
The molecular weight of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester is 353.14 g/mol.
Where can I buy Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester?
You can request a quote for Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl 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-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.