Ethyl 4-(4-anilinoanilino)-4-oxobutanoate
TL;DR: Ethyl 4-(4-anilinoanilino)-4-oxobutanoate (CAS 356550-54-4) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-anilinoanilino)-4-oxobutanoate
Also Known As: ethyl 4-(4-anilinoanilino)-4-oxobutanoate, AN-329/40688575, ethyl 4-oxo-4-{[4-(phenylamino)phenyl]amino}butanoate, ethyl 3-{N-[4-(phenylamino)phenyl]carbamoyl}propanoate, ethyl 4-oxo-4-((4-(phenylamino)phenyl)amino)butanoate
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 3.712 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 639.0761 |
Chemical Identifiers
| CAS Number | 356550-54-4 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2 |
Product Overview
Ethyl 4-(4-anilinoanilino)-4-oxobutanoate (CAS 356550-54-4), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: ethyl 4-(4-anilinoanilino)-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-(4-anilinoanilino)-4-oxobutanoate
Property Insights of Ethyl 4-(4-anilinoanilino)-4-oxobutanoate
The XLogP value of 3.712 indicates that Ethyl 4-(4-anilinoanilino)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-anilinoanilino)-4-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-(4-anilinoanilino)-4-oxobutanoate has 2 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-(4-anilinoanilino)-4-oxobutanoate?
The CAS number of Ethyl 4-(4-anilinoanilino)-4-oxobutanoate is 356550-54-4.
What is the molecular formula of Ethyl 4-(4-anilinoanilino)-4-oxobutanoate?
The molecular formula of Ethyl 4-(4-anilinoanilino)-4-oxobutanoate is C18H20N2O3.
What is the molecular weight of Ethyl 4-(4-anilinoanilino)-4-oxobutanoate?
The molecular weight of Ethyl 4-(4-anilinoanilino)-4-oxobutanoate is 312.15 g/mol.
Where can I buy Ethyl 4-(4-anilinoanilino)-4-oxobutanoate?
You can request a quote for Ethyl 4-(4-anilinoanilino)-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-(4-anilinoanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-anilinoanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.