RefChem:1058310
TL;DR: RefChem:1058310 (CAS 155271-54-8) is a chemical compound with molecular formula C19H21N5O6 and molecular weight 415.14917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
Also Known As: (E)-8-(4,5-Dimethoxy-2-nitrostyryl)-1,3-diethylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4,5-dimethoxy-2-nitrophenyl)ethenyl)-, (E)-, (E)-1,3-Diethyl-8-(2-(4,5-dimethoxy-2-nitrophenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione, 8-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C19H21N5O6 |
| Molecular Weight | 415.14917 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.14917 Da |
| Heavy Atoms | 30 |
| Complexity | 697.0 |
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC(=C(C=C3[N+](=O)[O-])OC)OC |
| InChIKey | MYXIWFOJAORROI-BQYQJAHWSA-N |
Chemical Property Profile of RefChem:1058310
Property Insights of RefChem:1058310
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058310. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058310. Following Lipinski's Rule of Five, RefChem:1058310 has 1 hydrogen bond donor(s) and 7 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:1058310?
The CAS number of RefChem:1058310 is 155271-54-8.
What is the molecular formula of RefChem:1058310?
The molecular formula of RefChem:1058310 is C19H21N5O6.
What is the molecular weight of RefChem:1058310?
The molecular weight of RefChem:1058310 is 415.14917 g/mol.
Where can I buy RefChem:1058310?
You can request a quote for RefChem:1058310 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058310?
Yes, CoreyChem provides custom synthesis services for RefChem:1058310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.