RefChem:1058258
TL;DR: RefChem:1058258 (CAS 155271-05-9) is a chemical compound with molecular formula C21H26N4O5 and molecular weight 414.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-7-methyl-8-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]purine-2,6-dione
Also Known As: (E)-1,3-Diethyl-7-methyl-8-(2,3,4-trimethoxystyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-,(E)-, 1,3-diethyl-7-methyl-8-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]purine-2,6-dione, 1,3-Diethyl-7-methyl-8-[(E)-2-(2,3,4-trimethoxy-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione, RefChem:1058258
| Molecular Formula | C21H26N4O5 |
|---|---|
| Molecular Weight | 414.19 g/mol |
| LogP | 2.1327 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.1903 |
| Heavy Atoms | 30 |
| Complexity | 1233.1384 |
Chemical Identifiers
| CAS Number | 155271-05-9 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=C(C(=C(C=C3)OC)OC)OC)C |
Product Overview
RefChem:1058258 (CAS 155271-05-9), with molecular formula C21H26N4O5 and molecular weight 414.19 g/mol. IUPAC: 1,3-diethyl-7-methyl-8-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]purine-2,6-dione.
Chemical Property Profile of RefChem:1058258
Property Insights of RefChem:1058258
The XLogP value of 2.1327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058258. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058258. Following Lipinski's Rule of Five, RefChem:1058258 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1058258?
The CAS number of RefChem:1058258 is 155271-05-9.
What is the molecular formula of RefChem:1058258?
The molecular formula of RefChem:1058258 is C21H26N4O5.
What is the molecular weight of RefChem:1058258?
The molecular weight of RefChem:1058258 is 414.19 g/mol.
Where can I buy RefChem:1058258?
You can request a quote for RefChem:1058258 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058258?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058258 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.