4e9u
TL;DR: 4e9u (CAS 205381-72-2) is a chemical compound with molecular formula C17H12F2N6 and molecular weight 338.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-amino-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
Also Known As: 4e9u, Benzonitrile, 4-((4-amino-6-((3,5-difluorophenyl)methyl)-1,3,5-triazin-2-yl)amino)-, 4-[[4-amino-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile, Benzonitrile, 4-[[4-amino-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-yl]amino]-, 4-({4-AMINO-6-[(3,5-DIFLUOROPHENYL)METHYL]-1,3,5-TRIAZIN-2-YL}AMINO)BENZONITRILE
| Molecular Formula | C17H12F2N6 |
|---|---|
| Molecular Weight | 338.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.10916 |
| Heavy Atoms | 25 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 205381-72-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NC2=NC(=NC(=N2)N)CC3=CC(=CC(=C3)F)F |
| InChIKey | KMBJNPIJUSHVFT-UHFFFAOYSA-N |
Product Overview
4e9u (CAS 205381-72-2), with molecular formula C17H12F2N6 and molecular weight 338.11 g/mol. IUPAC: 4-[[4-amino-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile.
Chemical Property Profile of 4e9u
Property Insights of 4e9u
The XLogP value of 3.4 indicates that 4e9u is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4e9u. Following Lipinski's Rule of Five, 4e9u has 2 hydrogen bond donor(s) and 8 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 4e9u?
The CAS number of 4e9u is 205381-72-2.
What is the molecular formula of 4e9u?
The molecular formula of 4e9u is C17H12F2N6.
What is the molecular weight of 4e9u?
The molecular weight of 4e9u is 338.11 g/mol.
Where can I buy 4e9u?
You can request a quote for 4e9u directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4e9u?
Yes, KEHONG BIO provides custom synthesis services for 4e9u and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.