2-(2-Naphthyl)-2-oxoethyl isonicotinate
TL;DR: 2-(2-Naphthyl)-2-oxoethyl isonicotinate (CAS 516468-64-7) is a chemical compound with molecular formula C18H13NO3 and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-naphthalen-2-yl-2-oxoethyl) pyridine-4-carboxylate
Also Known As: TimTec1_008066, 2-(2-naphthyl)-2-oxoethyl isonicotinate, BAS 06808796, IDI1_033720, 2-(naphthalen-2-yl)-2-oxoethyl isonicotinate
| Molecular Formula | C18H13NO3 |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 3.2745 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.08954 |
| Heavy Atoms | 22 |
| Complexity | 827.8697 |
Chemical Identifiers
| CAS Number | 516468-64-7 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)C3=CC=NC=C3 |
Product Overview
2-(2-Naphthyl)-2-oxoethyl isonicotinate (CAS 516468-64-7), with molecular formula C18H13NO3 and molecular weight 291.09 g/mol. IUPAC: (2-naphthalen-2-yl-2-oxoethyl) pyridine-4-carboxylate.
Chemical Property Profile of 2-(2-Naphthyl)-2-oxoethyl isonicotinate
Property Insights of 2-(2-Naphthyl)-2-oxoethyl isonicotinate
The XLogP value of 3.2745 indicates that 2-(2-Naphthyl)-2-oxoethyl isonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 2-(2-Naphthyl)-2-oxoethyl isonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Naphthyl)-2-oxoethyl isonicotinate 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-(2-Naphthyl)-2-oxoethyl isonicotinate?
The CAS number of 2-(2-Naphthyl)-2-oxoethyl isonicotinate is 516468-64-7.
What is the molecular formula of 2-(2-Naphthyl)-2-oxoethyl isonicotinate?
The molecular formula of 2-(2-Naphthyl)-2-oxoethyl isonicotinate is C18H13NO3.
What is the molecular weight of 2-(2-Naphthyl)-2-oxoethyl isonicotinate?
The molecular weight of 2-(2-Naphthyl)-2-oxoethyl isonicotinate is 291.09 g/mol.
Where can I buy 2-(2-Naphthyl)-2-oxoethyl isonicotinate?
You can request a quote for 2-(2-Naphthyl)-2-oxoethyl isonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Naphthyl)-2-oxoethyl isonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Naphthyl)-2-oxoethyl isonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.