1,4-Phenylene diisonicotinate
TL;DR: 1,4-Phenylene diisonicotinate (CAS 154306-50-0) is a chemical compound with molecular formula C18H12N2O4 and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate
Also Known As: 1,4-Phenylene diisonicotinate, 4-(isonicotinoyloxy)phenyl isonicotinate, 1,4-Phenylenediisonicotinate, [4-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate, J1.862.516D
| Molecular Formula | C18H12N2O4 |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 2.915 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.0797 |
| Heavy Atoms | 24 |
| Complexity | 761.4123 |
Chemical Identifiers
| CAS Number | 154306-50-0 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=O)C2=CC=NC=C2)OC(=O)C3=CC=NC=C3 |
Product Overview
1,4-Phenylene diisonicotinate (CAS 154306-50-0), with molecular formula C18H12N2O4 and molecular weight 320.08 g/mol. IUPAC: [4-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate.
Chemical Property Profile of 1,4-Phenylene diisonicotinate
Property Insights of 1,4-Phenylene diisonicotinate
The XLogP value of 2.915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Phenylene diisonicotinate. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Phenylene diisonicotinate. Following Lipinski's Rule of Five, 1,4-Phenylene diisonicotinate has 0 hydrogen bond donor(s) and 6 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 1,4-Phenylene diisonicotinate?
The CAS number of 1,4-Phenylene diisonicotinate is 154306-50-0.
What is the molecular formula of 1,4-Phenylene diisonicotinate?
The molecular formula of 1,4-Phenylene diisonicotinate is C18H12N2O4.
What is the molecular weight of 1,4-Phenylene diisonicotinate?
The molecular weight of 1,4-Phenylene diisonicotinate is 320.08 g/mol.
Where can I buy 1,4-Phenylene diisonicotinate?
You can request a quote for 1,4-Phenylene diisonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Phenylene diisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Phenylene diisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.