2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate
TL;DR: 2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate (CAS 355435-80-2) is a chemical compound with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
Also Known As: 2-(4-chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate, [2-(4-chlorophenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
| Molecular Formula | C17H16ClNO3 |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 3.4457 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.08188 |
| Heavy Atoms | 22 |
| Complexity | 663.30835 |
Chemical Identifiers
| CAS Number | 355435-80-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Cl |
Product Overview
2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate (CAS 355435-80-2), with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] 4-(dimethylamino)benzoate.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate
Property Insights of 2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate
The XLogP value of 3.4457 indicates that 2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-oxoethyl 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-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate?
The CAS number of 2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate is 355435-80-2.
What is the molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate?
The molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate is C17H16ClNO3.
What is the molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate?
The molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate is 317.08 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate?
You can request a quote for 2-(4-Chlorophenyl)-2-oxoethyl 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-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-oxoethyl 4-(dimethylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.