(E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine
TL;DR: (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine (CAS 151539-60-5) is a chemical compound with molecular formula C22H26N4O4 and molecular weight 410.1954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Also Known As: (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione,8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-3,7-dihydro-7-methyl-1,3-dipropyl-,(E)- (9CI), 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-
Technical Specifications
| Molecular Formula | C22H26N4O4 |
| Molecular Weight | 410.1954 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1954 Da |
| Heavy Atoms | 30 |
| Complexity | 672.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC4=C(C=C3)OCCO4)C |
| InChIKey | KLSBYYIOKGIPEL-UHFFFAOYSA-N |
Chemical Property Profile of (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine
Property Insights of (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine
The XLogP value of 3.4 indicates that (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine. Following Lipinski's Rule of Five, (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine 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
What is the CAS number of (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine?
The CAS number of (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine is 151539-60-5.
What is the molecular formula of (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine?
The molecular formula of (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine is C22H26N4O4.
What is the molecular weight of (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine?
The molecular weight of (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine is 410.1954 g/mol.
Where can I buy (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine?
You can request a quote for (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine?
Yes, CoreyChem provides custom synthesis services for (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-7-methyl-1,3-dipropylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.