AF 74
TL;DR: AF 74 (CAS 30146-68-0) is a chemical compound with molecular formula C20H27N7O2 and molecular weight 397.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxylate
Also Known As: AF 74, 5-26-09-00262 (Beilstein Handbook Reference), 1-Piperazinecarboxylic acid, 4-((4-amino-6-(3,4-dihydro-2(1H)-isoquinolyl)-s-triazin-2-yl)methyl)-, ethyl ester, ethyl 4-[[4-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxylate, Ethyl 4-{[4-amino-6-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3,5-triazin-2-yl]methyl}piperazine-1-carboxylate
| Molecular Formula | C20H27N7O2 |
|---|---|
| Molecular Weight | 397.22 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.22263 |
| Heavy Atoms | 29 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 30146-68-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC(=NC(=N2)N3CCC4=CC=CC=C4C3)N |
| InChIKey | IOFIFGURSPLJDP-UHFFFAOYSA-N |
Product Overview
AF 74 (CAS 30146-68-0), with molecular formula C20H27N7O2 and molecular weight 397.22 g/mol. IUPAC: ethyl 4-[[4-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of AF 74
Property Insights of AF 74
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF 74. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AF 74. Following Lipinski's Rule of Five, AF 74 has 1 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 AF 74?
The CAS number of AF 74 is 30146-68-0.
What is the molecular formula of AF 74?
The molecular formula of AF 74 is C20H27N7O2.
What is the molecular weight of AF 74?
The molecular weight of AF 74 is 397.22 g/mol.
Where can I buy AF 74?
You can request a quote for AF 74 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF 74?
Yes, KEHONG BIO provides custom synthesis services for AF 74 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.