2-(Mesitylamino)-2-oxoethyl nicotinate
TL;DR: 2-(Mesitylamino)-2-oxoethyl nicotinate (CAS 876716-76-6) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] pyridine-3-carboxylate
Also Known As: 2-(mesitylamino)-2-oxoethyl nicotinate, (N-mesitylcarbamoyl)methyl nicotinate, BAS 09867689, F1357-0026, [(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL PYRIDINE-3-CARBOXYLATE
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 2.80236 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 673.3003 |
Chemical Identifiers
| CAS Number | 876716-76-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CN=CC=C2)C |
Product Overview
2-(Mesitylamino)-2-oxoethyl nicotinate (CAS 876716-76-6), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] pyridine-3-carboxylate.
Chemical Property Profile of 2-(Mesitylamino)-2-oxoethyl nicotinate
Property Insights of 2-(Mesitylamino)-2-oxoethyl nicotinate
The XLogP value of 2.80236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Mesitylamino)-2-oxoethyl nicotinate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Mesitylamino)-2-oxoethyl nicotinate. Following Lipinski's Rule of Five, 2-(Mesitylamino)-2-oxoethyl nicotinate 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-(Mesitylamino)-2-oxoethyl nicotinate?
The CAS number of 2-(Mesitylamino)-2-oxoethyl nicotinate is 876716-76-6.
What is the molecular formula of 2-(Mesitylamino)-2-oxoethyl nicotinate?
The molecular formula of 2-(Mesitylamino)-2-oxoethyl nicotinate is C17H18N2O3.
What is the molecular weight of 2-(Mesitylamino)-2-oxoethyl nicotinate?
The molecular weight of 2-(Mesitylamino)-2-oxoethyl nicotinate is 298.13 g/mol.
Where can I buy 2-(Mesitylamino)-2-oxoethyl nicotinate?
You can request a quote for 2-(Mesitylamino)-2-oxoethyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Mesitylamino)-2-oxoethyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Mesitylamino)-2-oxoethyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.