Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate
TL;DR: Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate (CAS 872702-14-2) is a chemical compound with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetyl]amino]benzoate
Also Known As: F2005-0120, methyl 4-(2-{[6-(pyridin-4-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate, methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate, methyl 4-[[2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetyl]amino]benzoate
| Molecular Formula | C19H16N4O3S |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 3.056 |
| Topological Polar Surface Area | 94.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.0943 |
| Heavy Atoms | 27 |
| Complexity | 915.9495 |
Chemical Identifiers
| CAS Number | 872702-14-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=NC=C3 |
Product Overview
Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate (CAS 872702-14-2), with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol. IUPAC: methyl 4-[[2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate
Property Insights of Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate
The XLogP value of 3.056 indicates that Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate 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 Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate?
The CAS number of Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate is 872702-14-2.
What is the molecular formula of Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate?
The molecular formula of Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate is C19H16N4O3S.
What is the molecular weight of Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate?
The molecular weight of Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate is 380.09 g/mol.
Where can I buy Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate?
You can request a quote for Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.