AF 81
TL;DR: AF 81 (CAS 30146-58-8) is a chemical compound with molecular formula C18H24N6 and molecular weight 324.21 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-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
Also Known As: AF 81, 5-26-09-00261 (Beilstein Handbook Reference), Isoquinoline, 1,2,3,4-tetrahydro-2-((4-amino-6-piperidino-s-triazin-2-yl)methyl)-, 1,2,3,4-Tetrahydro-2-((4-amino-6-piperidino-s-triazin-2-yl)methyl)isoquinoline, 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
| Molecular Formula | C18H24N6 |
|---|---|
| Molecular Weight | 324.21 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.20624 |
| Heavy Atoms | 24 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 30146-58-8 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC(=NC(=N2)N)CN3CCC4=CC=CC=C4C3 |
| InChIKey | XKCISFVGGLWDNY-UHFFFAOYSA-N |
Product Overview
AF 81 (CAS 30146-58-8), with molecular formula C18H24N6 and molecular weight 324.21 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
Chemical Property Profile of AF 81
Property Insights of AF 81
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF 81. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AF 81. Following Lipinski's Rule of Five, AF 81 has 1 hydrogen bond donor(s) and 6 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 81?
The CAS number of AF 81 is 30146-58-8.
What is the molecular formula of AF 81?
The molecular formula of AF 81 is C18H24N6.
What is the molecular weight of AF 81?
The molecular weight of AF 81 is 324.21 g/mol.
Where can I buy AF 81?
You can request a quote for AF 81 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF 81?
Yes, KEHONG BIO provides custom synthesis services for AF 81 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.