4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline
TL;DR: 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline (CAS 136009-19-3) is a chemical compound with molecular formula C22H19N5 and molecular weight 353.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline
Also Known As: 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline, BAS 01907294, BIM-0014349.P001, 2,4,6-TRIS(4-AMINOPHENYL)-PYRIMIDINE, 4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline
| Molecular Formula | C22H19N5 |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | 4.2242 |
| Topological Polar Surface Area | 103.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.16403 |
| Heavy Atoms | 27 |
| Complexity | 915.31714 |
Chemical Identifiers
| CAS Number | 136009-19-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=NC(=N2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N |
Product Overview
4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline (CAS 136009-19-3), with molecular formula C22H19N5 and molecular weight 353.16 g/mol. IUPAC: 4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline.
Chemical Property Profile of 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline
Property Insights of 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline
The XLogP value of 4.2242 indicates that 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline. Following Lipinski's Rule of Five, 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline has 3 hydrogen bond donor(s) and 5 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''-(Pyrimidine-2,4,6-triyl)trianiline?
The CAS number of 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline is 136009-19-3.
What is the molecular formula of 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline?
The molecular formula of 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline is C22H19N5.
What is the molecular weight of 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline?
The molecular weight of 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline is 353.16 g/mol.
Where can I buy 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline?
You can request a quote for 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline 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''-(Pyrimidine-2,4,6-triyl)trianiline?
Yes, KEHONG BIO provides custom synthesis services for 4,4',4''-(Pyrimidine-2,4,6-triyl)trianiline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.