AF 77
TL;DR: AF 77 (CAS 30146-71-5) is a chemical compound with molecular formula C18H25N7 and molecular weight 339.22 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-methylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
Also Known As: AF 77, 5-26-09-00262 (Beilstein Handbook Reference), Isoquinoline, 1,2,3,4-tetrahydro-2-(4-amino-6-((4-methyl-1-piperazinyl)methyl)-s-triazin-2-yl)-, 1,2,3,4-Tetrahydro-2-(4-amino-6-((4-methyl-1-piperazinyl)methyl)-s-triazin-2-yl)isoquinoline, 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
| Molecular Formula | C18H25N7 |
|---|---|
| Molecular Weight | 339.22 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.21713 |
| Heavy Atoms | 25 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 30146-71-5 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=NC(=NC(=N2)N3CCC4=CC=CC=C4C3)N |
| InChIKey | RMIMTXLHUVHRKQ-UHFFFAOYSA-N |
Product Overview
AF 77 (CAS 30146-71-5), with molecular formula C18H25N7 and molecular weight 339.22 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine.
Chemical Property Profile of AF 77
Property Insights of AF 77
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF 77. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AF 77. Following Lipinski's Rule of Five, AF 77 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 77?
The CAS number of AF 77 is 30146-71-5.
What is the molecular formula of AF 77?
The molecular formula of AF 77 is C18H25N7.
What is the molecular weight of AF 77?
The molecular weight of AF 77 is 339.22 g/mol.
Where can I buy AF 77?
You can request a quote for AF 77 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF 77?
Yes, KEHONG BIO provides custom synthesis services for AF 77 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.