A1974/0083035
TL;DR: A1974/0083035 (CAS 296243-48-6) is a chemical compound with molecular formula C17H9F13N6S and molecular weight 576.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: A1974/0083035, 1,2,4-Triazolo[4,3-b]pyridazine, 3-perfluorohexyl-6-(4,6-dimethyl-2-pyrimidyl)thio-, 3-Perfluorohexyl-6-(4,6-dimethyl-2-pyrimidyl)thio-1,2,4-triazolo[4,3-b]pyridazine, 4,6-DIMETHYL-2-{[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-TRIDECAFLUOROHEXYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL]SULFANYL}PYRIMIDINE, 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C17H9F13N6S |
|---|---|
| Molecular Weight | 576.04 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 94.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 7 |
| Exact Mass | 576.04016 |
| Heavy Atoms | 37 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 296243-48-6 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC2=NN3C(=NN=C3C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C=C2)C |
| InChIKey | PUZWJJVOHWYICU-UHFFFAOYSA-N |
Product Overview
A1974/0083035 (CAS 296243-48-6), with molecular formula C17H9F13N6S and molecular weight 576.04 g/mol. IUPAC: 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of A1974/0083035
Property Insights of A1974/0083035
The XLogP value of 5.8 indicates that A1974/0083035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for A1974/0083035. Following Lipinski's Rule of Five, A1974/0083035 has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1974/0083035?
The CAS number of A1974/0083035 is 296243-48-6.
What is the molecular formula of A1974/0083035?
The molecular formula of A1974/0083035 is C17H9F13N6S.
What is the molecular weight of A1974/0083035?
The molecular weight of A1974/0083035 is 576.04 g/mol.
Where can I buy A1974/0083035?
You can request a quote for A1974/0083035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1974/0083035?
Yes, KEHONG BIO provides custom synthesis services for A1974/0083035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.