AF 78
TL;DR: AF 78 (CAS 30146-72-6) is a chemical compound with molecular formula C23H27N7 and molecular weight 401.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
Also Known As: AF 78, 5-26-09-00262 (Beilstein Handbook Reference), Isoquinoline, 1,2,3,4-tetrahydro-2-(4-amino-6-((4-phenyl-1-piperazinyl)methyl)-s-triazin-2-yl)-, 1,2,3,4-Tetrahydro-2-(4-amino-6-((4-phenyl-1-piperazinyl)methyl)-s-triazin-2-yl)isoquinoline, 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
| Molecular Formula | C23H27N7 |
|---|---|
| Molecular Weight | 401.23 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.2328 |
| Heavy Atoms | 30 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 30146-72-6 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C3=NC(=NC(=N3)N)CN4CCN(CC4)C5=CC=CC=C5 |
| InChIKey | RICSVCCWQXYHPI-UHFFFAOYSA-N |
Product Overview
AF 78 (CAS 30146-72-6), with molecular formula C23H27N7 and molecular weight 401.23 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine.
Chemical Property Profile of AF 78
Property Insights of AF 78
The XLogP value of 3.1 indicates that AF 78 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AF 78. Following Lipinski's Rule of Five, AF 78 has 1 hydrogen bond donor(s) and 7 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 AF 78?
The CAS number of AF 78 is 30146-72-6.
What is the molecular formula of AF 78?
The molecular formula of AF 78 is C23H27N7.
What is the molecular weight of AF 78?
The molecular weight of AF 78 is 401.23 g/mol.
Where can I buy AF 78?
You can request a quote for AF 78 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF 78?
Yes, KEHONG BIO provides custom synthesis services for AF 78 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.