ChemDiv2_004555
TL;DR: ChemDiv2_004555 (CAS 684235-50-5) is a chemical compound with molecular formula C13H14N4O4S and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-yl]oxyacetate
Also Known As: ChemDiv2_004555, IDI1_003270, methyl 2-((6-((6-methyl-2-(methylthio)pyrimidin-4-yl)oxy)pyridazin-3-yl)oxy)acetate, methyl [(6-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}pyridazin-3-yl)oxy]acetate, methyl [(6-{[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy}-3-pyridazinyl)oxy]acetate
| Molecular Formula | C13H14N4O4S |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 1.64102 |
| Topological Polar Surface Area | 96.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.07358 |
| Heavy Atoms | 22 |
| Complexity | 650.9884 |
Chemical Identifiers
| CAS Number | 684235-50-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC)OC2=NN=C(C=C2)OCC(=O)OC |
Product Overview
ChemDiv2_004555 (CAS 684235-50-5), with molecular formula C13H14N4O4S and molecular weight 322.07 g/mol. IUPAC: methyl 2-[6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-yl]oxyacetate.
Chemical Property Profile of ChemDiv2_004555
Property Insights of ChemDiv2_004555
The XLogP value of 1.64102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004555. The TPSA of 96.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004555. Following Lipinski's Rule of Five, ChemDiv2_004555 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 ChemDiv2_004555?
The CAS number of ChemDiv2_004555 is 684235-50-5.
What is the molecular formula of ChemDiv2_004555?
The molecular formula of ChemDiv2_004555 is C13H14N4O4S.
What is the molecular weight of ChemDiv2_004555?
The molecular weight of ChemDiv2_004555 is 322.07 g/mol.
Where can I buy ChemDiv2_004555?
You can request a quote for ChemDiv2_004555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004555?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.