AB00678556-01
TL;DR: AB00678556-01 (CAS 891101-11-4) is a chemical compound with molecular formula C18H13N5O3S2 and molecular weight 411.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
Also Known As: AB00678556-01, F2507-0140, N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide, N-1,3-benzodioxol-5-yl-2-{[6-(2-thienyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]thio}acetamide
| Molecular Formula | C18H13N5O3S2 |
|---|---|
| Molecular Weight | 411.05 g/mol |
| LogP | 3.3123 |
| Topological Polar Surface Area | 90.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.046 |
| Heavy Atoms | 28 |
| Complexity | 1159.465 |
Chemical Identifiers
| CAS Number | 891101-11-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C4N3N=C(C=C4)C5=CC=CS5 |
Product Overview
AB00678556-01 (CAS 891101-11-4), with molecular formula C18H13N5O3S2 and molecular weight 411.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00678556-01
Property Insights of AB00678556-01
The XLogP value of 3.3123 indicates that AB00678556-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678556-01. Following Lipinski's Rule of Five, AB00678556-01 has 1 hydrogen bond donor(s) and 8 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 AB00678556-01?
The CAS number of AB00678556-01 is 891101-11-4.
What is the molecular formula of AB00678556-01?
The molecular formula of AB00678556-01 is C18H13N5O3S2.
What is the molecular weight of AB00678556-01?
The molecular weight of AB00678556-01 is 411.05 g/mol.
Where can I buy AB00678556-01?
You can request a quote for AB00678556-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678556-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678556-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.