RefChem:1058433
TL;DR: RefChem:1058433 (CAS 147700-46-7) is a chemical compound with molecular formula C20H23ClN4O2 and molecular weight 386.15094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(E)-2-(3-chlorophenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Also Known As: (E)-8-(3-Chlorostyryl)-7-methyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-chlorophenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-, 1,3-dipropyl-7-methyl-8-(3-chlorostyryl)xanthine, (E)-8-(2-(3-Chlorophenyl)ethenyl)-1,3-dipropyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(E)-2-(3-chlorophenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Technical Specifications
| Molecular Formula | C20H23ClN4O2 |
| Molecular Weight | 386.15094 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.15094 Da |
| Heavy Atoms | 27 |
| Complexity | 584.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=CC=C3)Cl)C |
| InChIKey | UGAILPQNQLJXBN-MDZDMXLPSA-N |
Chemical Property Profile of RefChem:1058433
Property Insights of RefChem:1058433
The XLogP value of 4.3 indicates that RefChem:1058433 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, RefChem:1058433 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058433 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
What is the CAS number of RefChem:1058433?
The CAS number of RefChem:1058433 is 147700-46-7.
What is the molecular formula of RefChem:1058433?
The molecular formula of RefChem:1058433 is C20H23ClN4O2.
What is the molecular weight of RefChem:1058433?
The molecular weight of RefChem:1058433 is 386.15094 g/mol.
Where can I buy RefChem:1058433?
You can request a quote for RefChem:1058433 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058433?
Yes, CoreyChem provides custom synthesis services for RefChem:1058433 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.