4,4',4''-Propane-1,2,3-triyltripyridine
TL;DR: 4,4',4''-Propane-1,2,3-triyltripyridine (CAS 5421-79-4) is a chemical compound with molecular formula C18H17N3 and molecular weight 275.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dipyridin-4-ylpropan-2-yl)pyridine
Also Known As: starbld0028980, 4,4',4''-propane-1,2,3-triyltripyridine, 1,2,3-tris-4-pyridylpropane, 1,2,3-Tri-[4]pyridyl-propan, 4-(1,3-dipyridin-4-ylpropan-2-yl)pyridine
| Molecular Formula | C18H17N3 |
|---|---|
| Molecular Weight | 275.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.14224 |
| Heavy Atoms | 21 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 5421-79-4 |
|---|---|
| SMILES | C1=CN=CC=C1CC(CC2=CC=NC=C2)C3=CC=NC=C3 |
| InChIKey | JCJAOOWIIGTYEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4',4''-Propane-1,2,3-triyltripyridine (CAS 5421-79-4), with molecular formula C18H17N3 and molecular weight 275.14 g/mol. IUPAC: 4-(1,3-dipyridin-4-ylpropan-2-yl)pyridine.
Chemical Property Profile of 4,4',4''-Propane-1,2,3-triyltripyridine
Property Insights of 4,4',4''-Propane-1,2,3-triyltripyridine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4',4''-Propane-1,2,3-triyltripyridine. With a topological polar surface area (TPSA) of 38.7 Ų, 4,4',4''-Propane-1,2,3-triyltripyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4',4''-Propane-1,2,3-triyltripyridine has 0 hydrogen bond donor(s) and 3 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 4,4',4''-Propane-1,2,3-triyltripyridine?
The CAS number of 4,4',4''-Propane-1,2,3-triyltripyridine is 5421-79-4.
What is the molecular formula of 4,4',4''-Propane-1,2,3-triyltripyridine?
The molecular formula of 4,4',4''-Propane-1,2,3-triyltripyridine is C18H17N3.
What is the molecular weight of 4,4',4''-Propane-1,2,3-triyltripyridine?
The molecular weight of 4,4',4''-Propane-1,2,3-triyltripyridine is 275.14 g/mol.
Where can I buy 4,4',4''-Propane-1,2,3-triyltripyridine?
You can request a quote for 4,4',4''-Propane-1,2,3-triyltripyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4',4''-Propane-1,2,3-triyltripyridine?
Yes, KEHONG BIO provides custom synthesis services for 4,4',4''-Propane-1,2,3-triyltripyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.