RefChem:1058265
TL;DR: RefChem:1058265 (CAS 155271-31-1) is a chemical compound with molecular formula C21H26N4O3 and molecular weight 382.20 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-(4-propoxyphenyl)ethenyl]purine-2,6-dione
Also Known As: (E)-1,3-Diethyl-7-methyl-8-(4-propoxystyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(4-propoxyphenyl)ethenyl)-, (E)-, (E)-1,3-Diethyl-7-methyl-8-(2-(4-propoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-diethyl-7-methyl-8-[(E)-2-(4-propoxyphenyl)ethenyl]purine-2,6-dione, RefChem:1058265
| Molecular Formula | C21H26N4O3 |
|---|---|
| Molecular Weight | 382.20 g/mol |
| LogP | 2.8957 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.2005 |
| Heavy Atoms | 28 |
| Complexity | 1117.7338 |
Chemical Identifiers
| CAS Number | 155271-31-1 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(N2C)C(=O)N(C(=O)N3CC)CC |
Product Overview
RefChem:1058265 (CAS 155271-31-1), with molecular formula C21H26N4O3 and molecular weight 382.20 g/mol. IUPAC: 1,3-diethyl-7-methyl-8-[(E)-2-(4-propoxyphenyl)ethenyl]purine-2,6-dione.
Chemical Property Profile of RefChem:1058265
Property Insights of RefChem:1058265
The XLogP value of 2.8957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058265. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058265. Following Lipinski's Rule of Five, RefChem:1058265 has 0 hydrogen bond donor(s) and 4 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:1058265?
The CAS number of RefChem:1058265 is 155271-31-1.
What is the molecular formula of RefChem:1058265?
The molecular formula of RefChem:1058265 is C21H26N4O3.
What is the molecular weight of RefChem:1058265?
The molecular weight of RefChem:1058265 is 382.20 g/mol.
Where can I buy RefChem:1058265?
You can request a quote for RefChem:1058265 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058265?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058265 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.