Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate
TL;DR: Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate (CAS 327059-07-4) is a chemical compound with molecular formula C11H10Cl3NO3 and molecular weight 308.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate
Also Known As: methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate, methyl 4-oxo-4-[(2,4,5-trichlorophenyl)amino]butanoate, AN-329/15538026, methyl 3-[N-(2,4,5-trichlorophenyl)carbamoyl]propanoate, METHYL 3-[(2,4,5-TRICHLOROPHENYL)CARBAMOYL]PROPANOATE
| Molecular Formula | C11H10Cl3NO3 |
|---|---|
| Molecular Weight | 308.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.97263 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 327059-07-4 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | KWFBXKAOFICZHT-UHFFFAOYSA-N |
Product Overview
Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate (CAS 327059-07-4), with molecular formula C11H10Cl3NO3 and molecular weight 308.97 g/mol. IUPAC: methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate.
Chemical Property Profile of Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate
Property Insights of Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate?
The CAS number of Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate is 327059-07-4.
What is the molecular formula of Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate?
The molecular formula of Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate is C11H10Cl3NO3.
What is the molecular weight of Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate?
The molecular weight of Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate is 308.97 g/mol.
Where can I buy Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate?
You can request a quote for Methyl 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 Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.