Bionet1_001216
TL;DR: Bionet1_001216 (CAS 339106-89-7) is a chemical compound with molecular formula C17H12ClF3N4O2 and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxoisoquinoline-4-carboxamide
Also Known As: Bionet1_001216, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide, 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide, 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-1-oxoisoquinoline-4-carboxamide, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-1-oxo-isoquinoline-4-carboxamide
| Molecular Formula | C17H12ClF3N4O2 |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 3.0671 |
| Topological Polar Surface Area | 81.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.0601 |
| Heavy Atoms | 27 |
| Complexity | 1111.5093 |
Chemical Identifiers
| CAS Number | 339106-89-7 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)N |
Product Overview
Bionet1_001216 (CAS 339106-89-7), with molecular formula C17H12ClF3N4O2 and molecular weight 396.06 g/mol. IUPAC: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxoisoquinoline-4-carboxamide.
Chemical Property Profile of Bionet1_001216
Property Insights of Bionet1_001216
The XLogP value of 3.0671 indicates that Bionet1_001216 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_001216. Following Lipinski's Rule of Five, Bionet1_001216 has 1 hydrogen bond donor(s) and 4 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 Bionet1_001216?
The CAS number of Bionet1_001216 is 339106-89-7.
What is the molecular formula of Bionet1_001216?
The molecular formula of Bionet1_001216 is C17H12ClF3N4O2.
What is the molecular weight of Bionet1_001216?
The molecular weight of Bionet1_001216 is 396.06 g/mol.
Where can I buy Bionet1_001216?
You can request a quote for Bionet1_001216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001216?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.