Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate
TL;DR: Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate (CAS 356550-86-2) is a chemical compound with molecular formula C12H12Cl3NO3 and molecular weight 322.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate
Also Known As: ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate, ethyl 4-oxo-4-[(2,4,5-trichlorophenyl)amino]butanoate, AN-329/40688440, ethyl 3-[N-(2,4,5-trichlorophenyl)carbamoyl]propanoate, ethyl 4-oxo-4-((2,4,5-trichlorophenyl)amino)butanoate
| Molecular Formula | C12H12Cl3NO3 |
|---|---|
| Molecular Weight | 322.99 g/mol |
| LogP | 3.9286 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.98828 |
| Heavy Atoms | 19 |
| Complexity | 491.35312 |
Chemical Identifiers
| CAS Number | 356550-86-2 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1=CC(=C(C=C1Cl)Cl)Cl |
Product Overview
Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate (CAS 356550-86-2), with molecular formula C12H12Cl3NO3 and molecular weight 322.99 g/mol. IUPAC: ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate.
Chemical Property Profile of Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate
Property Insights of Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate
The XLogP value of 3.9286 indicates that Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate has 1 hydrogen bond donor(s) and 3 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-oxo-4-(2,4,5-trichloroanilino)butanoate?
The CAS number of Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate is 356550-86-2.
What is the molecular formula of Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate?
The molecular formula of Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate is C12H12Cl3NO3.
What is the molecular weight of Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate?
The molecular weight of Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate is 322.99 g/mol.
Where can I buy Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate?
You can request a quote for Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.