CTK4C8631
TL;DR: CTK4C8631 (CAS 155272-00-7) is a chemical compound with molecular formula C20H22N4O5 and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-8-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-7-methylpurine-2,6-dione
Also Known As: (E)-1,3-Diethyl-8-(3-methoxy-4,5-methylenedioxystyryl)-7-methylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl)-7-methyl-, (E)-, 1H-Purine-2,6-dione,1,3-diethyl-3,7-dihydro-8-[(1E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-7-methyl-
| Molecular Formula | C20H22N4O5 |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | 1.8442 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.15903 |
| Heavy Atoms | 29 |
| Complexity | 1248.7059 |
Chemical Identifiers
| CAS Number | 155272-00-7 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC4=C(C(=C3)OC)OCO4)C |
Product Overview
CTK4C8631 (CAS 155272-00-7), with molecular formula C20H22N4O5 and molecular weight 398.16 g/mol. IUPAC: 1,3-diethyl-8-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-7-methylpurine-2,6-dione.
Chemical Property Profile of CTK4C8631
Property Insights of CTK4C8631
The XLogP value of 1.8442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4C8631. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4C8631. Following Lipinski's Rule of Five, CTK4C8631 has 0 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 CTK4C8631?
The CAS number of CTK4C8631 is 155272-00-7.
What is the molecular formula of CTK4C8631?
The molecular formula of CTK4C8631 is C20H22N4O5.
What is the molecular weight of CTK4C8631?
The molecular weight of CTK4C8631 is 398.16 g/mol.
Where can I buy CTK4C8631?
You can request a quote for CTK4C8631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4C8631?
Yes, KEHONG BIO provides custom synthesis services for CTK4C8631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.