RefChem:1058342
TL;DR: RefChem:1058342 (CAS 147700-41-2) is a chemical compound with molecular formula C20H23N5O4 and molecular weight 397.17502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione
Also Known As: (E)-7-Methyl-8-(3-nitrostyryl)-1,3-dipropylxanthine, 1,3-Dipropyl-7-methyl-8-(3-nitrostyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)-, (E)-1,3-Dipropyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione, Xanthine, 1,3-dipropyl-7-methyl-8-[2-(3-nitrophenyl)ethenyl]-
Technical Specifications
| Molecular Formula | C20H23N5O4 |
| Molecular Weight | 397.17502 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.17502 Da |
| Heavy Atoms | 29 |
| Complexity | 664.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C |
| InChIKey | FSQZXSLHVPLXTR-MDZDMXLPSA-N |
Chemical Property Profile of RefChem:1058342
Property Insights of RefChem:1058342
The XLogP value of 3.5 indicates that RefChem:1058342 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058342. Following Lipinski's Rule of Five, RefChem:1058342 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 RefChem:1058342?
The CAS number of RefChem:1058342 is 147700-41-2.
What is the molecular formula of RefChem:1058342?
The molecular formula of RefChem:1058342 is C20H23N5O4.
What is the molecular weight of RefChem:1058342?
The molecular weight of RefChem:1058342 is 397.17502 g/mol.
Where can I buy RefChem:1058342?
You can request a quote for RefChem:1058342 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058342?
Yes, CoreyChem provides custom synthesis services for RefChem:1058342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.