AB00870199-06
TL;DR: AB00870199-06 (CAS 894011-05-3) is a chemical compound with molecular formula C20H22N6O2S and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
Also Known As: AB00870199-06, F2007-0004, N-(2-(6-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide, N-[2-(6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide, N-[2-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
| Molecular Formula | C20H22N6O2S |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 1.8113 |
| Topological Polar Surface Area | 92.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.1525 |
| Heavy Atoms | 29 |
| Complexity | 1000.6339 |
Chemical Identifiers
| CAS Number | 894011-05-3 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NN3C(=NN=C3CCNC(=O)C4=CC=CC=C4)C=C2 |
Product Overview
AB00870199-06 (CAS 894011-05-3), with molecular formula C20H22N6O2S and molecular weight 410.15 g/mol. IUPAC: N-[2-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide.
Chemical Property Profile of AB00870199-06
Property Insights of AB00870199-06
The XLogP value of 1.8113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00870199-06. The TPSA of 92.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00870199-06. Following Lipinski's Rule of Five, AB00870199-06 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 AB00870199-06?
The CAS number of AB00870199-06 is 894011-05-3.
What is the molecular formula of AB00870199-06?
The molecular formula of AB00870199-06 is C20H22N6O2S.
What is the molecular weight of AB00870199-06?
The molecular weight of AB00870199-06 is 410.15 g/mol.
Where can I buy AB00870199-06?
You can request a quote for AB00870199-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00870199-06?
Yes, KEHONG BIO provides custom synthesis services for AB00870199-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.