F2531-0059
TL;DR: F2531-0059 (CAS 895459-95-7) is a chemical compound with molecular formula C20H19N5O3S and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: F2531-0059, 2-{[6-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide, 2-((6-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide, 2-[[6-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C20H19N5O3S |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 3.1915 |
| Topological Polar Surface Area | 94.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.12085 |
| Heavy Atoms | 29 |
| Complexity | 1093.2225 |
Chemical Identifiers
| CAS Number | 895459-95-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN3C(=NN=C3SCC(=O)NCC4=CC=CO4)C=C2 |
Product Overview
F2531-0059 (CAS 895459-95-7), with molecular formula C20H19N5O3S and molecular weight 409.12 g/mol. IUPAC: 2-[[6-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of F2531-0059
Property Insights of F2531-0059
The XLogP value of 3.1915 indicates that F2531-0059 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.55 Ų falls within the moderate polarity range, balancing permeability and solubility for F2531-0059. Following Lipinski's Rule of Five, F2531-0059 has 1 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 F2531-0059?
The CAS number of F2531-0059 is 895459-95-7.
What is the molecular formula of F2531-0059?
The molecular formula of F2531-0059 is C20H19N5O3S.
What is the molecular weight of F2531-0059?
The molecular weight of F2531-0059 is 409.12 g/mol.
Where can I buy F2531-0059?
You can request a quote for F2531-0059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2531-0059?
Yes, KEHONG BIO provides custom synthesis services for F2531-0059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.