CTK4C8622
TL;DR: CTK4C8622 (CAS 155271-79-7) is a chemical compound with molecular formula C20H18F6N4O2 and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
Also Known As: (E)-8-(3,5-Bis(trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,5-bis(trifluoromethyl)phenyl)ethenyl)-1,3-diethyl-7-methyl-, (E)-, 1H-Purine-2,6-dione,8-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1,3-diethyl-3,7-dihydro-7-methyl-,(E)- (9CI)
| Molecular Formula | C20H18F6N4O2 |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | 4.1445 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.1334 |
| Heavy Atoms | 32 |
| Complexity | 1293.3097 |
Chemical Identifiers
| CAS Number | 155271-79-7 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C |
Product Overview
CTK4C8622 (CAS 155271-79-7), with molecular formula C20H18F6N4O2 and molecular weight 460.13 g/mol. IUPAC: 8-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione.
Chemical Property Profile of CTK4C8622
Property Insights of CTK4C8622
The XLogP value of 4.1445 indicates that CTK4C8622 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4C8622. Following Lipinski's Rule of Five, CTK4C8622 has 0 hydrogen bond donor(s) and 3 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 CTK4C8622?
The CAS number of CTK4C8622 is 155271-79-7.
What is the molecular formula of CTK4C8622?
The molecular formula of CTK4C8622 is C20H18F6N4O2.
What is the molecular weight of CTK4C8622?
The molecular weight of CTK4C8622 is 460.13 g/mol.
Where can I buy CTK4C8622?
You can request a quote for CTK4C8622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4C8622?
Yes, KEHONG BIO provides custom synthesis services for CTK4C8622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.