Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate
TL;DR: Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate (CAS 106372-74-1) is a chemical compound with molecular formula C12H19NO5 and molecular weight 257.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetamido-4-acetyl-5-oxohexanoate
Also Known As: ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate, ethyl 4-acetamido-4-acetyl-5-oxohexanoate
| Molecular Formula | C12H19NO5 |
|---|---|
| Molecular Weight | 257.13 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 257.1263 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 106372-74-1 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)C)(C(=O)C)NC(=O)C |
| InChIKey | RUSGBEGFGQDSIA-UHFFFAOYSA-N |
Product Overview
Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate (CAS 106372-74-1), with molecular formula C12H19NO5 and molecular weight 257.13 g/mol. IUPAC: ethyl 4-acetamido-4-acetyl-5-oxohexanoate.
Chemical Property Profile of Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate
Property Insights of Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate
The XLogP value of -0.4 indicates that Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate. Following Lipinski's Rule of Five, Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate has 1 hydrogen bond donor(s) and 5 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 Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate?
The CAS number of Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate is 106372-74-1.
What is the molecular formula of Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate?
The molecular formula of Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate is C12H19NO5.
What is the molecular weight of Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate?
The molecular weight of Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate is 257.13 g/mol.
Where can I buy Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate?
You can request a quote for Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-acetyl-4-(acetylamino)-5-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.