Benzene-1,3,5-triyl trinicotinate
TL;DR: Benzene-1,3,5-triyl trinicotinate (CAS 3468-40-4) is a chemical compound with molecular formula C24H15N3O6 and molecular weight 441.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate
Also Known As: Benzene-1,3,5-triyl trinicotinate, Benzene-1,3,5-triyltrinicotinate, Trisnicotinic acid 1,3,5-benzenetriyl ester, Benzene-1,3,5-triyl tripyridine-3-carboxylate, [3,5-bis(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate
| Molecular Formula | C24H15N3O6 |
|---|---|
| Molecular Weight | 441.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 441.0961 |
| Heavy Atoms | 33 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 3468-40-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OC2=CC(=CC(=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4 |
| InChIKey | PTSXETMTZDEFBO-UHFFFAOYSA-N |
Product Overview
Benzene-1,3,5-triyl trinicotinate (CAS 3468-40-4), with molecular formula C24H15N3O6 and molecular weight 441.10 g/mol. IUPAC: [3,5-bis(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate.
Chemical Property Profile of Benzene-1,3,5-triyl trinicotinate
Property Insights of Benzene-1,3,5-triyl trinicotinate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene-1,3,5-triyl trinicotinate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene-1,3,5-triyl trinicotinate. Following Lipinski's Rule of Five, Benzene-1,3,5-triyl trinicotinate has 0 hydrogen bond donor(s) and 9 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 Benzene-1,3,5-triyl trinicotinate?
The CAS number of Benzene-1,3,5-triyl trinicotinate is 3468-40-4.
What is the molecular formula of Benzene-1,3,5-triyl trinicotinate?
The molecular formula of Benzene-1,3,5-triyl trinicotinate is C24H15N3O6.
What is the molecular weight of Benzene-1,3,5-triyl trinicotinate?
The molecular weight of Benzene-1,3,5-triyl trinicotinate is 441.10 g/mol.
Where can I buy Benzene-1,3,5-triyl trinicotinate?
You can request a quote for Benzene-1,3,5-triyl trinicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-1,3,5-triyl trinicotinate?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,3,5-triyl trinicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.