F0676-0713
TL;DR: F0676-0713 (CAS 852376-92-2) is a chemical compound with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate
Also Known As: F0676-0713, ethyl 4-((3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-3-oxobutanoate, ethyl 4-{[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-3-oxobutanoate, ethyl 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate
| Molecular Formula | C18H18N4O4S |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 2.4143 |
| Topological Polar Surface Area | 95.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 386.1049 |
| Heavy Atoms | 27 |
| Complexity | 955.65497 |
Chemical Identifiers
| CAS Number | 852376-92-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NN2C(=NN=C2C3=CC=C(C=C3)OC)C=C1 |
Product Overview
F0676-0713 (CAS 852376-92-2), with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol. IUPAC: ethyl 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of F0676-0713
Property Insights of F0676-0713
The XLogP value of 2.4143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0676-0713. The TPSA of 95.68 Ų falls within the moderate polarity range, balancing permeability and solubility for F0676-0713. Following Lipinski's Rule of Five, F0676-0713 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 F0676-0713?
The CAS number of F0676-0713 is 852376-92-2.
What is the molecular formula of F0676-0713?
The molecular formula of F0676-0713 is C18H18N4O4S.
What is the molecular weight of F0676-0713?
The molecular weight of F0676-0713 is 386.10 g/mol.
Where can I buy F0676-0713?
You can request a quote for F0676-0713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0676-0713?
Yes, KEHONG BIO provides custom synthesis services for F0676-0713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.