AB00431211-04
TL;DR: AB00431211-04 (CAS 868968-36-9) is a chemical compound with molecular formula C16H16N6O2S and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-morpholin-4-yl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
Also Known As: AB00431211-04, 1-(4-morpholinyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]ethanone, 1-morpholin-4-yl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone, F1835-0245, 1-(morpholin-4-yl)-2-{[3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}ethan-1-one
| Molecular Formula | C16H16N6O2S |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | 1.1372 |
| Topological Polar Surface Area | 85.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.10553 |
| Heavy Atoms | 25 |
| Complexity | 878.72217 |
Chemical Identifiers
| CAS Number | 868968-36-9 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2 |
Product Overview
AB00431211-04 (CAS 868968-36-9), with molecular formula C16H16N6O2S and molecular weight 356.11 g/mol. IUPAC: 1-morpholin-4-yl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone.
Chemical Property Profile of AB00431211-04
Property Insights of AB00431211-04
The XLogP value of 1.1372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00431211-04. The TPSA of 85.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00431211-04. Following Lipinski's Rule of Five, AB00431211-04 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 AB00431211-04?
The CAS number of AB00431211-04 is 868968-36-9.
What is the molecular formula of AB00431211-04?
The molecular formula of AB00431211-04 is C16H16N6O2S.
What is the molecular weight of AB00431211-04?
The molecular weight of AB00431211-04 is 356.11 g/mol.
Where can I buy AB00431211-04?
You can request a quote for AB00431211-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00431211-04?
Yes, KEHONG BIO provides custom synthesis services for AB00431211-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.