AB00678553-01
TL;DR: AB00678553-01 (CAS 891100-07-5) is a chemical compound with molecular formula C17H11N5O4S and molecular weight 381.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone
Also Known As: AB00678553-01, F2507-0104, 2-{[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one, 2-((6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-1-(3-nitrophenyl)ethanone, 2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone
| Molecular Formula | C17H11N5O4S |
|---|---|
| Molecular Weight | 381.05 g/mol |
| LogP | 3.2675 |
| Topological Polar Surface Area | 116.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.05316 |
| Heavy Atoms | 27 |
| Complexity | 1139.4098 |
Chemical Identifiers
| CAS Number | 891100-07-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CO4 |
Product Overview
AB00678553-01 (CAS 891100-07-5), with molecular formula C17H11N5O4S and molecular weight 381.05 g/mol. IUPAC: 2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone.
Chemical Property Profile of AB00678553-01
Property Insights of AB00678553-01
The XLogP value of 3.2675 indicates that AB00678553-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678553-01. Following Lipinski's Rule of Five, AB00678553-01 has 0 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 AB00678553-01?
The CAS number of AB00678553-01 is 891100-07-5.
What is the molecular formula of AB00678553-01?
The molecular formula of AB00678553-01 is C17H11N5O4S.
What is the molecular weight of AB00678553-01?
The molecular weight of AB00678553-01 is 381.05 g/mol.
Where can I buy AB00678553-01?
You can request a quote for AB00678553-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678553-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678553-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.