2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate
TL;DR: 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate (CAS 339246-76-3) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 5-(4-methylanilino)-5-oxopentanoate
Also Known As: phenacyl 5-(4-methylanilino)-5-oxopentanoate, 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate, 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate #, A0945/0044234, 2-oxo-2-phenylethyl 4-[N-(4-methylphenyl)carbamoyl]butanoate
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 339246-76-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC=CC=C2 |
| InChIKey | BJVUGJXGMAPHTN-UHFFFAOYSA-N |
Product Overview
2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate (CAS 339246-76-3), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: phenacyl 5-(4-methylanilino)-5-oxopentanoate.
Chemical Property Profile of 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate
Property Insights of 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate
The XLogP value of 3.0 indicates that 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate. Following Lipinski's Rule of Five, 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate 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 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate?
The CAS number of 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate is 339246-76-3.
What is the molecular formula of 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate?
The molecular formula of 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate is C20H21NO4.
What is the molecular weight of 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate?
The molecular weight of 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate is 339.15 g/mol.
Where can I buy 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate?
You can request a quote for 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-phenylethyl 5-oxo-5-(4-toluidino)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.