CTK4D5972
TL;DR: CTK4D5972 (CAS 175675-60-2) is a chemical compound with molecular formula C22H28N4O3S and molecular weight 428.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropyl-2-sulfanylidenepurin-6-one
Also Known As: (E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropyl-2-thioxanthine, 1H-Purin-6-one, 1,2,3,7-tetrahydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-2-thioxo-, (E)-, 6H-Purin-6-one,8-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3,7-tetrahydro-7-methyl-1,3-dipropyl-2-thioxo-,(E)- (9CI)
| Molecular Formula | C22H28N4O3S |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 4.27359 |
| Topological Polar Surface Area | 63.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.1882 |
| Heavy Atoms | 30 |
| Complexity | 1203.7837 |
Chemical Identifiers
| CAS Number | 175675-60-2 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=S)CCC)N(C(=N2)C=CC3=CC(=C(C=C3)OC)OC)C |
Product Overview
CTK4D5972 (CAS 175675-60-2), with molecular formula C22H28N4O3S and molecular weight 428.19 g/mol. IUPAC: 8-[2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropyl-2-sulfanylidenepurin-6-one.
Chemical Property Profile of CTK4D5972
Property Insights of CTK4D5972
The XLogP value of 4.27359 indicates that CTK4D5972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.21 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4D5972. Following Lipinski's Rule of Five, CTK4D5972 has 0 hydrogen bond donor(s) and 5 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 CTK4D5972?
The CAS number of CTK4D5972 is 175675-60-2.
What is the molecular formula of CTK4D5972?
The molecular formula of CTK4D5972 is C22H28N4O3S.
What is the molecular weight of CTK4D5972?
The molecular weight of CTK4D5972 is 428.19 g/mol.
Where can I buy CTK4D5972?
You can request a quote for CTK4D5972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4D5972?
Yes, KEHONG BIO provides custom synthesis services for CTK4D5972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.