2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate
TL;DR: 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate (CAS 55153-13-4) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 4-(dimethylamino)benzoate
Also Known As: phenacyl 4-(dimethylamino)benzoate, 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate, 4-(Dimethylamino)benzoic acid phenacyl ester, 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate #, Benzoic acid, 4-(dimethylamino)-, 2-oxo-2-phenylethyl ester
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 55153-13-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2 |
| InChIKey | YGIIZAJGVFBHOW-UHFFFAOYSA-N |
Product Overview
2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate (CAS 55153-13-4), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: phenacyl 4-(dimethylamino)benzoate.
Chemical Property Profile of 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate
Property Insights of 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate
The XLogP value of 3.3 indicates that 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate has 0 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 4-(dimethylamino)benzoate?
The CAS number of 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate is 55153-13-4.
What is the molecular formula of 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate?
The molecular formula of 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate is C17H17NO3.
What is the molecular weight of 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate?
The molecular weight of 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate is 283.12 g/mol.
Where can I buy 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate?
You can request a quote for 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate 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 4-(dimethylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-phenylethyl 4-(dimethylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.