2-(4-Chlorophenyl)-2-oxoethyl nicotinate
TL;DR: 2-(4-Chlorophenyl)-2-oxoethyl nicotinate (CAS 306764-24-9) is a chemical compound with molecular formula C14H10ClNO3 and molecular weight 275.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] pyridine-3-carboxylate
Also Known As: 2-(4-chlorophenyl)-2-oxoethyl nicotinate, 2-(4-chlorophenyl)-2-oxoethyl pyridine-3-carboxylate, [2-(4-chlorophenyl)-2-oxoethyl] pyridine-3-carboxylate
| Molecular Formula | C14H10ClNO3 |
|---|---|
| Molecular Weight | 275.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.0349 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 306764-24-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | UQGFSYLLKLDABQ-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)-2-oxoethyl nicotinate (CAS 306764-24-9), with molecular formula C14H10ClNO3 and molecular weight 275.03 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] pyridine-3-carboxylate.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-oxoethyl nicotinate
Property Insights of 2-(4-Chlorophenyl)-2-oxoethyl nicotinate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-2-oxoethyl nicotinate. With a topological polar surface area (TPSA) of 56.3 Ų, 2-(4-Chlorophenyl)-2-oxoethyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-oxoethyl nicotinate 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 nicotinate?
The CAS number of 2-(4-Chlorophenyl)-2-oxoethyl nicotinate is 306764-24-9.
What is the molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl nicotinate?
The molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl nicotinate is C14H10ClNO3.
What is the molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl nicotinate?
The molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl nicotinate is 275.03 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-oxoethyl nicotinate?
You can request a quote for 2-(4-Chlorophenyl)-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-(4-Chlorophenyl)-2-oxoethyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-oxoethyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.