Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate
TL;DR: Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate (CAS 122186-88-3) is a chemical compound with molecular formula C21H29ClN2O5 and molecular weight 424.1765 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[2-[4-(4-acetamidobutanoylamino)butanoyl]-5-chlorophenyl]propanoate
Also Known As: Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate, Benzenepropanoic acid, 2-(4-((4-(acetylamino)-1-oxobutyl)amino)-1-oxobutyl)-5-chloro-, ethyl ester, ethyl 2-[4-(4-acetamidobutyramido)butyryl]-5-chlorohydrocinnamate, ethyl 3-[2-[4-(4-acetamidobutanoylamino)butanoyl]-5-chlorophenyl]propanoate, Ethyl 3-{2-[4-(4-acetamidobutanamido)butanoyl]-5-chlorophenyl}propanoate
Technical Specifications
| Molecular Formula | C21H29ClN2O5 |
| Molecular Weight | 424.1765 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 424.1765 Da |
| Heavy Atoms | 29 |
| Complexity | 555.0 |
| SMILES | CCOC(=O)CCC1=C(C=CC(=C1)Cl)C(=O)CCCNC(=O)CCCNC(=O)C |
| InChIKey | NVLWSBXUBWDNTR-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate
Property Insights of Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate. Following Lipinski's Rule of Five, Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate?
The CAS number of Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate is 122186-88-3.
What is the molecular formula of Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate?
The molecular formula of Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate is C21H29ClN2O5.
What is the molecular weight of Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate?
The molecular weight of Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate is 424.1765 g/mol.
Where can I buy Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate?
You can request a quote for Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.