AB00678561-01
TL;DR: AB00678561-01 (CAS 891102-20-8) is a chemical compound with molecular formula C18H14N4O2S2 and molecular weight 382.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone
Also Known As: AB00678561-01, F2507-0180, 1-(4-methoxyphenyl)-2-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one, 1-(4-methoxyphenyl)-2-((6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)ethanone, 1-(4-methoxyphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone
| Molecular Formula | C18H14N4O2S2 |
|---|---|
| Molecular Weight | 382.06 g/mol |
| LogP | 3.8364 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.05582 |
| Heavy Atoms | 26 |
| Complexity | 1042.9464 |
Chemical Identifiers
| CAS Number | 891102-20-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CS4 |
Product Overview
AB00678561-01 (CAS 891102-20-8), with molecular formula C18H14N4O2S2 and molecular weight 382.06 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone.
Chemical Property Profile of AB00678561-01
Property Insights of AB00678561-01
The XLogP value of 3.8364 indicates that AB00678561-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678561-01. Following Lipinski's Rule of Five, AB00678561-01 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 AB00678561-01?
The CAS number of AB00678561-01 is 891102-20-8.
What is the molecular formula of AB00678561-01?
The molecular formula of AB00678561-01 is C18H14N4O2S2.
What is the molecular weight of AB00678561-01?
The molecular weight of AB00678561-01 is 382.06 g/mol.
Where can I buy AB00678561-01?
You can request a quote for AB00678561-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678561-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678561-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.