4,5-Di(3-pyridinyloxy)phthalonitrile
TL;DR: 4,5-Di(3-pyridinyloxy)phthalonitrile (CAS 147699-68-1) is a chemical compound with molecular formula C18H10N4O2 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile
Also Known As: 4,5-Bis phthalonitrile, Maybridge3_003477, 4,5-Di(3-pyridinyloxy)phthalonitrile, 4,5-Bis(3-pyridinyloxy)phthalonitrile, 4,5-bis(3-pyridyloxy)phthalonitrile
| Molecular Formula | C18H10N4O2 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.08038 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 147699-68-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)OC2=C(C=C(C(=C2)C#N)C#N)OC3=CN=CC=C3 |
| InChIKey | OGVJGKXQSAQKMW-UHFFFAOYSA-N |
Product Overview
4,5-Di(3-pyridinyloxy)phthalonitrile (CAS 147699-68-1), with molecular formula C18H10N4O2 and molecular weight 314.08 g/mol. IUPAC: 4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4,5-Di(3-pyridinyloxy)phthalonitrile
Property Insights of 4,5-Di(3-pyridinyloxy)phthalonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Di(3-pyridinyloxy)phthalonitrile. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Di(3-pyridinyloxy)phthalonitrile. Following Lipinski's Rule of Five, 4,5-Di(3-pyridinyloxy)phthalonitrile 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 4,5-Di(3-pyridinyloxy)phthalonitrile?
The CAS number of 4,5-Di(3-pyridinyloxy)phthalonitrile is 147699-68-1.
What is the molecular formula of 4,5-Di(3-pyridinyloxy)phthalonitrile?
The molecular formula of 4,5-Di(3-pyridinyloxy)phthalonitrile is C18H10N4O2.
What is the molecular weight of 4,5-Di(3-pyridinyloxy)phthalonitrile?
The molecular weight of 4,5-Di(3-pyridinyloxy)phthalonitrile is 314.08 g/mol.
Where can I buy 4,5-Di(3-pyridinyloxy)phthalonitrile?
You can request a quote for 4,5-Di(3-pyridinyloxy)phthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Di(3-pyridinyloxy)phthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Di(3-pyridinyloxy)phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.