![Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate structure](/static/products/3544/35443-98-2.webp)
Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate
TL;DR: Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate (CAS 35443-98-2) is a chemical compound with molecular formula C17H21NO6 and molecular weight 335.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[acetyl-(4-acetyloxy-3-oxobutyl)amino]benzoate
Also Known As: ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate, ethyl 4-[acetyl-(4-acetyloxy-3-oxobutyl)amino]benzoate, ethyl 4-[acetyl-(4-acetyloxy-3-oxo-butyl)amino]benzoate, ETHYL 4-{N-[4-(ACETYLOXY)-3-OXOBUTYL]ACETAMIDO}BENZOATE
| Molecular Formula | C17H21NO6 |
|---|---|
| Molecular Weight | 335.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 335.1369 |
| Heavy Atoms | 24 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 35443-98-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(CCC(=O)COC(=O)C)C(=O)C |
| InChIKey | NQNVFWDZEKXTIL-UHFFFAOYSA-N |
Product Overview
Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate (CAS 35443-98-2), with molecular formula C17H21NO6 and molecular weight 335.14 g/mol. IUPAC: ethyl 4-[acetyl-(4-acetyloxy-3-oxobutyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate
Property Insights of Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate has 0 hydrogen bond donor(s) and 6 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-(acetyloxy)-3-oxobutyl]amino}benzoate?
The CAS number of Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate is 35443-98-2.
What is the molecular formula of Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate?
The molecular formula of Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate is C17H21NO6.
What is the molecular weight of Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate?
The molecular weight of Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate is 335.14 g/mol.
Where can I buy Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate?
You can request a quote for Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate 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-(acetyloxy)-3-oxobutyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{acetyl[4-(acetyloxy)-3-oxobutyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.