ChemDiv3_004726
TL;DR: ChemDiv3_004726 (CAS 797018-52-1) is a chemical compound with molecular formula C13H16N6O4S and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate
Also Known As: ChemDiv3_004726, IDI1_022636, BRD-K71018124-001-01-0, methyl 2-[6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate, 2-[[6-[[4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]-3-pyridazinyl]oxy]acetic acid methyl ester
| Molecular Formula | C13H16N6O4S |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 0.7936 |
| Topological Polar Surface Area | 112.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.09537 |
| Heavy Atoms | 24 |
| Complexity | 697.3613 |
Chemical Identifiers
| CAS Number | 797018-52-1 |
|---|---|
| SMILES | CN(C)C1=NC(=NC(=N1)SC)OC2=NN=C(C=C2)OCC(=O)OC |
Product Overview
ChemDiv3_004726 (CAS 797018-52-1), with molecular formula C13H16N6O4S and molecular weight 352.10 g/mol. IUPAC: methyl 2-[6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate.
Chemical Property Profile of ChemDiv3_004726
Property Insights of ChemDiv3_004726
The XLogP value of 0.7936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004726. The TPSA of 112.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004726. Following Lipinski's Rule of Five, ChemDiv3_004726 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_004726?
The CAS number of ChemDiv3_004726 is 797018-52-1.
What is the molecular formula of ChemDiv3_004726?
The molecular formula of ChemDiv3_004726 is C13H16N6O4S.
What is the molecular weight of ChemDiv3_004726?
The molecular weight of ChemDiv3_004726 is 352.10 g/mol.
Where can I buy ChemDiv3_004726?
You can request a quote for ChemDiv3_004726 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004726?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.