CTK4C5315
TL;DR: CTK4C5315 (CAS 147238-35-5) is a chemical compound with molecular formula C20H22F3N3O6 and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Also Known As: 3-(2-(Dimethylamino)ethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-4(1H)-pyridazinone fumarate, 3-(2-DIMETHYLAMINOETHOXY)-6-METHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]PYRIDAZIN-4-ONE MALEATE, 4(1H)-Pyridazinone, 3-(2-(dimethylamino)ethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-, (E)-2-butenedioate (1:1)
| Molecular Formula | C20H22F3N3O6 |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 2.21192 |
| Topological Polar Surface Area | 121.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.14606 |
| Heavy Atoms | 32 |
| Complexity | 1015.97076 |
Chemical Identifiers
| CAS Number | 147238-35-5 |
|---|---|
| SMILES | CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)OCCN(C)C.C(=CC(=O)O)C(=O)O |
Product Overview
CTK4C5315 (CAS 147238-35-5), with molecular formula C20H22F3N3O6 and molecular weight 457.15 g/mol. IUPAC: but-2-enedioic acid;3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.
Chemical Property Profile of CTK4C5315
Property Insights of CTK4C5315
The XLogP value of 2.21192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4C5315. The TPSA of 121.96 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4C5315. Following Lipinski's Rule of Five, CTK4C5315 has 2 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 CTK4C5315?
The CAS number of CTK4C5315 is 147238-35-5.
What is the molecular formula of CTK4C5315?
The molecular formula of CTK4C5315 is C20H22F3N3O6.
What is the molecular weight of CTK4C5315?
The molecular weight of CTK4C5315 is 457.15 g/mol.
Where can I buy CTK4C5315?
You can request a quote for CTK4C5315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4C5315?
Yes, KEHONG BIO provides custom synthesis services for CTK4C5315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.