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8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione structure
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8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione

TL;DR: 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione (CAS 151539-30-9) is a chemical compound with molecular formula C22H28N4O2 and molecular weight 380.22122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

8-[2-(3,4-dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione

Also Known As: (E)-8-(3,4-Dimethylstyryl)-7-methyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione,8-[2-(3,4-dimethylphenyl)ethenyl]-3,7-dihydro-7-methyl-1,3-dipropyl-, (E)-(9CI), 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethylphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-

CAS Number
151539-30-9
Molecular Formula
C22H28N4O2
Molecular Weight
380.22122 g/mol
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Technical Specifications

Molecular FormulaC22H28N4O2
Molecular Weight380.22122 g/mol
XLogP4.4
Topological Polar Surface Area (TPSA)58.4 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors3
Rotatable Bonds6
Exact Mass380.22122 Da
Heavy Atoms28
Complexity607.0
SMILESCCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC(=C(C=C3)C)C)C
InChIKeyKMTYQFILBBQBBB-UHFFFAOYSA-N

Chemical Property Profile of 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione

XLogP
4.4
TPSA (Topological Polar Surface Area)
58.4
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
Rotatable Bonds
6
Heavy Atoms
28
Complexity
607.0
Exact Mass
380.22122
Monoisotopic Mass
380.22122
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione

The XLogP value of 4.4 indicates that 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione 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 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione?

The CAS number of 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is 151539-30-9.

What is the molecular formula of 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione?

The molecular formula of 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is C22H28N4O2.

What is the molecular weight of 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione?

The molecular weight of 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is 380.22122 g/mol.

Where can I buy 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione?

You can request a quote for 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione?

Yes, CoreyChem provides custom synthesis services for 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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