F0676-0951
TL;DR: F0676-0951 (CAS 852438-07-4) is a chemical compound with molecular formula C19H20N4O5S and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate
Also Known As: F0676-0951, ethyl 4-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-3-oxobutanoate, ethyl 4-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate, ethyl 4-{[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-3-oxobutanoate
| Molecular Formula | C19H20N4O5S |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 2.4229 |
| Topological Polar Surface Area | 104.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.11545 |
| Heavy Atoms | 29 |
| Complexity | 1036.6115 |
Chemical Identifiers
| CAS Number | 852438-07-4 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NN2C(=NN=C2C3=CC(=C(C=C3)OC)OC)C=C1 |
Product Overview
F0676-0951 (CAS 852438-07-4), with molecular formula C19H20N4O5S and molecular weight 416.12 g/mol. IUPAC: ethyl 4-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of F0676-0951
Property Insights of F0676-0951
The XLogP value of 2.4229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0676-0951. The TPSA of 104.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F0676-0951. Following Lipinski's Rule of Five, F0676-0951 has 0 hydrogen bond donor(s) and 9 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 F0676-0951?
The CAS number of F0676-0951 is 852438-07-4.
What is the molecular formula of F0676-0951?
The molecular formula of F0676-0951 is C19H20N4O5S.
What is the molecular weight of F0676-0951?
The molecular weight of F0676-0951 is 416.12 g/mol.
Where can I buy F0676-0951?
You can request a quote for F0676-0951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0676-0951?
Yes, KEHONG BIO provides custom synthesis services for F0676-0951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.