Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester
TL;DR: Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester (CAS 122186-93-0) is a chemical compound with molecular formula C18H24ClNO4 and molecular weight 353.13937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 3-[2-(4-acetamidobutanoyl)-5-chlorophenyl]propanoate
Also Known As: Propyl 2-(4-acetamidobutyryl)-5-chlorohydrocinnamate, Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester, Propyl 2-(4-(acetylamino)-1-oxobutyl)-5-chlorobenzenepropanoate, propyl 3-[2-(4-acetamidobutanoyl)-5-chlorophenyl]propanoate
Technical Specifications
| Molecular Formula | C18H24ClNO4 |
| Molecular Weight | 353.13937 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 353.13937 Da |
| Heavy Atoms | 24 |
| Complexity | 427.0 |
| SMILES | CCCOC(=O)CCC1=C(C=CC(=C1)Cl)C(=O)CCCNC(=O)C |
| InChIKey | DBJNWEHUGSQAAO-UHFFFAOYSA-N |
Chemical Property Profile of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester
Property Insights of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester. Following Lipinski's Rule of Five, Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl 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
What is the CAS number of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester?
The CAS number of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester is 122186-93-0.
What is the molecular formula of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester?
The molecular formula of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester is C18H24ClNO4.
What is the molecular weight of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester?
The molecular weight of Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester is 353.13937 g/mol.
Where can I buy Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester?
You can request a quote for Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester?
Yes, CoreyChem provides custom synthesis services for Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.