AB00676306-01
TL;DR: AB00676306-01 (CAS 868968-07-4) is a chemical compound with molecular formula C21H15N5S and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(naphthalen-1-ylmethylsulfanyl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: AB00676306-01, F1835-0215, 2-(6-{[(naphthalen-1-yl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pyridine, 5-[(1-naphthyl)methylthio]-3-(2-pyridyl)-1,2,3a,4-tetraazaindene, 6-((naphthalen-1-ylmethyl)thio)-3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C21H15N5S |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 4.6318 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.10483 |
| Heavy Atoms | 27 |
| Complexity | 1228.0027 |
Chemical Identifiers
| CAS Number | 868968-07-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CSC3=NN4C(=NN=C4C5=CC=CC=N5)C=C3 |
Product Overview
AB00676306-01 (CAS 868968-07-4), with molecular formula C21H15N5S and molecular weight 369.10 g/mol. IUPAC: 6-(naphthalen-1-ylmethylsulfanyl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of AB00676306-01
Property Insights of AB00676306-01
The XLogP value of 4.6318 indicates that AB00676306-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, AB00676306-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00676306-01 has 0 hydrogen bond donor(s) and 5 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 AB00676306-01?
The CAS number of AB00676306-01 is 868968-07-4.
What is the molecular formula of AB00676306-01?
The molecular formula of AB00676306-01 is C21H15N5S.
What is the molecular weight of AB00676306-01?
The molecular weight of AB00676306-01 is 369.10 g/mol.
Where can I buy AB00676306-01?
You can request a quote for AB00676306-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676306-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676306-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.