2-Acetylphenyl 2,6-dichloroisonicotinate
TL;DR: 2-Acetylphenyl 2,6-dichloroisonicotinate (CAS 647824-79-1) is a chemical compound with molecular formula C14H9Cl2NO3 and molecular weight 309.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetylphenyl) 2,6-dichloropyridine-4-carboxylate
Also Known As: 2-acetylphenyl 2,6-dichloroisonicotinate, (2-acetylphenyl) 2,6-dichloropyridine-4-carboxylate, 2-acetylphenyl 2,6-dichloropyridine-4-carboxylate
| Molecular Formula | C14H9Cl2NO3 |
|---|---|
| Molecular Weight | 309.00 g/mol |
| LogP | 3.8102 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.99594 |
| Heavy Atoms | 20 |
| Complexity | 665.61926 |
Chemical Identifiers
| CAS Number | 647824-79-1 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1OC(=O)C2=CC(=NC(=C2)Cl)Cl |
Product Overview
2-Acetylphenyl 2,6-dichloroisonicotinate (CAS 647824-79-1), with molecular formula C14H9Cl2NO3 and molecular weight 309.00 g/mol. IUPAC: (2-acetylphenyl) 2,6-dichloropyridine-4-carboxylate.
Chemical Property Profile of 2-Acetylphenyl 2,6-dichloroisonicotinate
Property Insights of 2-Acetylphenyl 2,6-dichloroisonicotinate
The XLogP value of 3.8102 indicates that 2-Acetylphenyl 2,6-dichloroisonicotinate 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-Acetylphenyl 2,6-dichloroisonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylphenyl 2,6-dichloroisonicotinate 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-Acetylphenyl 2,6-dichloroisonicotinate?
The CAS number of 2-Acetylphenyl 2,6-dichloroisonicotinate is 647824-79-1.
What is the molecular formula of 2-Acetylphenyl 2,6-dichloroisonicotinate?
The molecular formula of 2-Acetylphenyl 2,6-dichloroisonicotinate is C14H9Cl2NO3.
What is the molecular weight of 2-Acetylphenyl 2,6-dichloroisonicotinate?
The molecular weight of 2-Acetylphenyl 2,6-dichloroisonicotinate is 309.00 g/mol.
Where can I buy 2-Acetylphenyl 2,6-dichloroisonicotinate?
You can request a quote for 2-Acetylphenyl 2,6-dichloroisonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylphenyl 2,6-dichloroisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylphenyl 2,6-dichloroisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.