RefChem:1058383
TL;DR: RefChem:1058383 (CAS 155271-13-9) is a chemical compound with molecular formula C19H20N4O4 and molecular weight 368.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
Also Known As: (E)-1,3-Diethyl-7-methyl-8-(3,4-methylenedioxystyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,3-benzodioxol-5-yl)ethenyl)-1,3-diethyl-7-methyl-, (E)-, 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione, RefChem:1058383
| Molecular Formula | C19H20N4O4 |
|---|---|
| Molecular Weight | 368.15 g/mol |
| LogP | 1.8356 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.14847 |
| Heavy Atoms | 27 |
| Complexity | 1183.1085 |
Chemical Identifiers
| CAS Number | 155271-13-9 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC4=C(C=C3)OCO4)C |
Product Overview
RefChem:1058383 (CAS 155271-13-9), with molecular formula C19H20N4O4 and molecular weight 368.15 g/mol. IUPAC: 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione.
Chemical Property Profile of RefChem:1058383
Property Insights of RefChem:1058383
The XLogP value of 1.8356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058383. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058383. Following Lipinski's Rule of Five, RefChem:1058383 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
Frequently Asked Questions
What is the CAS number of RefChem:1058383?
The CAS number of RefChem:1058383 is 155271-13-9.
What is the molecular formula of RefChem:1058383?
The molecular formula of RefChem:1058383 is C19H20N4O4.
What is the molecular weight of RefChem:1058383?
The molecular weight of RefChem:1058383 is 368.15 g/mol.
Where can I buy RefChem:1058383?
You can request a quote for RefChem:1058383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058383?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.