Methyl 4-oxo-4-(4-phenoxyanilino)butanoate
TL;DR: Methyl 4-oxo-4-(4-phenoxyanilino)butanoate (CAS 178665-65-1) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-4-(4-phenoxyanilino)butanoate
Also Known As: Methyl 4-oxo-4-(4-phenoxyanilino)butanoate, BAS 00606375, methyl 4-oxo-4-[(4-phenoxyphenyl)amino]butanoate, Methyl 4-oxo-4-(4-phenoxyanilino)butanoate #, methyl 3-[(4-phenoxyphenyl)carbamoyl]propanoate
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 178665-65-1 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 |
| InChIKey | KPGPHXPDDYXVHX-UHFFFAOYSA-N |
Product Overview
Methyl 4-oxo-4-(4-phenoxyanilino)butanoate (CAS 178665-65-1), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: methyl 4-oxo-4-(4-phenoxyanilino)butanoate.
Chemical Property Profile of Methyl 4-oxo-4-(4-phenoxyanilino)butanoate
Property Insights of Methyl 4-oxo-4-(4-phenoxyanilino)butanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-4-(4-phenoxyanilino)butanoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-oxo-4-(4-phenoxyanilino)butanoate. Following Lipinski's Rule of Five, Methyl 4-oxo-4-(4-phenoxyanilino)butanoate 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 Methyl 4-oxo-4-(4-phenoxyanilino)butanoate?
The CAS number of Methyl 4-oxo-4-(4-phenoxyanilino)butanoate is 178665-65-1.
What is the molecular formula of Methyl 4-oxo-4-(4-phenoxyanilino)butanoate?
The molecular formula of Methyl 4-oxo-4-(4-phenoxyanilino)butanoate is C17H17NO4.
What is the molecular weight of Methyl 4-oxo-4-(4-phenoxyanilino)butanoate?
The molecular weight of Methyl 4-oxo-4-(4-phenoxyanilino)butanoate is 299.12 g/mol.
Where can I buy Methyl 4-oxo-4-(4-phenoxyanilino)butanoate?
You can request a quote for Methyl 4-oxo-4-(4-phenoxyanilino)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-(4-phenoxyanilino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxo-4-(4-phenoxyanilino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.