RefChem:1058261
TL;DR: RefChem:1058261 (CAS 155271-83-3) is a chemical compound with molecular formula C18H19N5O4 and molecular weight 369.14 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-(3-nitrophenyl)ethenyl]purine-2,6-dione
Also Known As: (E)-1,3-Diethyl-7-methyl-8-(3-nitrostyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)-, (E)-1,3-Diethyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-diethyl-7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]purine-2,6-dione, RefChem:1058261
| Molecular Formula | C18H19N5O4 |
|---|---|
| Molecular Weight | 369.14 g/mol |
| LogP | 2.0151 |
| Topological Polar Surface Area | 104.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.1437 |
| Heavy Atoms | 27 |
| Complexity | 1182.9058 |
Chemical Identifiers
| CAS Number | 155271-83-3 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C |
Product Overview
RefChem:1058261 (CAS 155271-83-3), with molecular formula C18H19N5O4 and molecular weight 369.14 g/mol. IUPAC: 1,3-diethyl-7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]purine-2,6-dione.
Chemical Property Profile of RefChem:1058261
Property Insights of RefChem:1058261
The XLogP value of 2.0151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058261. The TPSA of 104.96 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058261. Following Lipinski's Rule of Five, RefChem:1058261 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:1058261?
The CAS number of RefChem:1058261 is 155271-83-3.
What is the molecular formula of RefChem:1058261?
The molecular formula of RefChem:1058261 is C18H19N5O4.
What is the molecular weight of RefChem:1058261?
The molecular weight of RefChem:1058261 is 369.14 g/mol.
Where can I buy RefChem:1058261?
You can request a quote for RefChem:1058261 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058261?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058261 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.