Ethyl 4-(3-acetylanilino)-4-oxobutanoate
TL;DR: Ethyl 4-(3-acetylanilino)-4-oxobutanoate (CAS 356076-63-6) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-acetylanilino)-4-oxobutanoate
Also Known As: ethyl 4-(3-acetylanilino)-4-oxobutanoate, ethyl 4-[(3-acetylphenyl)amino]-4-oxobutanoate, ethyl 3-[N-(3-acetylphenyl)carbamoyl]propanoate, ethyl 4-((3-acetylphenyl)amino)-4-oxobutanoate, AN-329/40688572
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 2.171 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 482.08923 |
Chemical Identifiers
| CAS Number | 356076-63-6 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1=CC=CC(=C1)C(=O)C |
Product Overview
Ethyl 4-(3-acetylanilino)-4-oxobutanoate (CAS 356076-63-6), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: ethyl 4-(3-acetylanilino)-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-(3-acetylanilino)-4-oxobutanoate
Property Insights of Ethyl 4-(3-acetylanilino)-4-oxobutanoate
The XLogP value of 2.171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-acetylanilino)-4-oxobutanoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-acetylanilino)-4-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-(3-acetylanilino)-4-oxobutanoate 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 Ethyl 4-(3-acetylanilino)-4-oxobutanoate?
The CAS number of Ethyl 4-(3-acetylanilino)-4-oxobutanoate is 356076-63-6.
What is the molecular formula of Ethyl 4-(3-acetylanilino)-4-oxobutanoate?
The molecular formula of Ethyl 4-(3-acetylanilino)-4-oxobutanoate is C14H17NO4.
What is the molecular weight of Ethyl 4-(3-acetylanilino)-4-oxobutanoate?
The molecular weight of Ethyl 4-(3-acetylanilino)-4-oxobutanoate is 263.12 g/mol.
Where can I buy Ethyl 4-(3-acetylanilino)-4-oxobutanoate?
You can request a quote for Ethyl 4-(3-acetylanilino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3-acetylanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-acetylanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.