ML077 Analog
TL;DR: ML077 Analog (CAS 893985-58-5) is a chemical compound with molecular formula C16H13FN4OS2 and molecular weight 360.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Also Known As: ML077 Analog, 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide, 2-{[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide, 2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)-N-(4-methylthiazol-2-yl)acetamide, N-(4-methyl-1,3-thiazol-2-yl)[6-(p-fluorophenyl)-3-pyridazinylthio]acetamide
| Molecular Formula | C16H13FN4OS2 |
|---|---|
| Molecular Weight | 360.05 g/mol |
| LogP | 3.77842 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.05148 |
| Heavy Atoms | 24 |
| Complexity | 834.0436 |
Chemical Identifiers
| CAS Number | 893985-58-5 |
|---|---|
| SMILES | CC1=CSC(=N1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)F |
Product Overview
ML077 Analog (CAS 893985-58-5), with molecular formula C16H13FN4OS2 and molecular weight 360.05 g/mol. IUPAC: 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of ML077 Analog
Property Insights of ML077 Analog
The XLogP value of 3.77842 indicates that ML077 Analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ML077 Analog. Following Lipinski's Rule of Five, ML077 Analog has 1 hydrogen bond donor(s) and 6 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 ML077 Analog?
The CAS number of ML077 Analog is 893985-58-5.
What is the molecular formula of ML077 Analog?
The molecular formula of ML077 Analog is C16H13FN4OS2.
What is the molecular weight of ML077 Analog?
The molecular weight of ML077 Analog is 360.05 g/mol.
Where can I buy ML077 Analog?
You can request a quote for ML077 Analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML077 Analog?
Yes, KEHONG BIO provides custom synthesis services for ML077 Analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.