AB00678508-01
TL;DR: AB00678508-01 (CAS 891122-51-3) is a chemical compound with molecular formula C18H18N6O3S and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-piperidin-1-ylethanone
Also Known As: AB00678508-01, F2506-0583, 2-((6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-1-(piperidin-1-yl)ethanone, 2-[[6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-piperidin-1-ylethanone, 2-{[6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
| Molecular Formula | C18H18N6O3S |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 2.8041 |
| Topological Polar Surface Area | 106.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.11612 |
| Heavy Atoms | 28 |
| Complexity | 1031.0878 |
Chemical Identifiers
| CAS Number | 891122-51-3 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
AB00678508-01 (CAS 891122-51-3), with molecular formula C18H18N6O3S and molecular weight 398.12 g/mol. IUPAC: 2-[[6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-piperidin-1-ylethanone.
Chemical Property Profile of AB00678508-01
Property Insights of AB00678508-01
The XLogP value of 2.8041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00678508-01. The TPSA of 106.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678508-01. Following Lipinski's Rule of Five, AB00678508-01 has 0 hydrogen bond donor(s) and 7 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 AB00678508-01?
The CAS number of AB00678508-01 is 891122-51-3.
What is the molecular formula of AB00678508-01?
The molecular formula of AB00678508-01 is C18H18N6O3S.
What is the molecular weight of AB00678508-01?
The molecular weight of AB00678508-01 is 398.12 g/mol.
Where can I buy AB00678508-01?
You can request a quote for AB00678508-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678508-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678508-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.