CTK4B5296
TL;DR: CTK4B5296 (CAS 126661-32-3) is a chemical compound with molecular formula C27H34N2O6 and molecular weight 482.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-(tert-butylamino)-3-[2-[2-[2-(dimethylamino)phenyl]ethynyl]phenoxy]propan-2-ol
Also Known As: 1-(2-((2-(Dimethylamino)phenyl)ethynyl)phenoxy)-3-((1,1-dimethylethyl)amino)-2-propanol fumarate, 1-[2-[2-(2-DIMETHYLAMINOPHENYL)ETHYNYL]PHENOXY]-3-(TERT-BUTYLAMINO)PROPAN-2-OL MALEATE
| Molecular Formula | C27H34N2O6 |
|---|---|
| Molecular Weight | 482.24 g/mol |
| LogP | 2.992 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 482.2417 |
| Heavy Atoms | 35 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 126661-32-3 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1C#CC2=CC=CC=C2N(C)C)O.C(=CC(=O)O)C(=O)O |
| InChIKey | WARZKQVNGFYFLJ-UHFFFAOYSA-N |
Product Overview
CTK4B5296 (CAS 126661-32-3), with molecular formula C27H34N2O6 and molecular weight 482.24 g/mol. IUPAC: but-2-enedioic acid;1-(tert-butylamino)-3-[2-[2-[2-(dimethylamino)phenyl]ethynyl]phenoxy]propan-2-ol.
Chemical Property Profile of CTK4B5296
Property Insights of CTK4B5296
The XLogP value of 2.992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4B5296. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4B5296. Following Lipinski's Rule of Five, CTK4B5296 has 4 hydrogen bond donor(s) and 8 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 CTK4B5296?
The CAS number of CTK4B5296 is 126661-32-3.
What is the molecular formula of CTK4B5296?
The molecular formula of CTK4B5296 is C27H34N2O6.
What is the molecular weight of CTK4B5296?
The molecular weight of CTK4B5296 is 482.24 g/mol.
Where can I buy CTK4B5296?
You can request a quote for CTK4B5296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4B5296?
Yes, KEHONG BIO provides custom synthesis services for CTK4B5296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.