RefChem:1058325
TL;DR: RefChem:1058325 (CAS 155271-66-2) is a chemical compound with molecular formula C18H17F3N4O2 and molecular weight 378.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-8-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-7H-purine-2,6-dione
Also Known As: (E)-1,3-Diethyl-8-(4-trifluoromethylstyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4-trifluoromethylphenyl)ethenyl)-, (E)-, (E)-1,3-Diethyl-8-(2-(4-trifluoromethylphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-diethyl-8-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-7H-purine-2,6-dione, RefChem:1058325
| Molecular Formula | C18H17F3N4O2 |
|---|---|
| Molecular Weight | 378.13 g/mol |
| LogP | 3.1153 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.13037 |
| Heavy Atoms | 27 |
| Complexity | 1118.9349 |
Chemical Identifiers
| CAS Number | 155271-66-2 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC=C(C=C3)C(F)(F)F |
Product Overview
RefChem:1058325 (CAS 155271-66-2), with molecular formula C18H17F3N4O2 and molecular weight 378.13 g/mol. IUPAC: 1,3-diethyl-8-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-7H-purine-2,6-dione.
Chemical Property Profile of RefChem:1058325
Property Insights of RefChem:1058325
The XLogP value of 3.1153 indicates that RefChem:1058325 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058325. Following Lipinski's Rule of Five, RefChem:1058325 has 1 hydrogen bond donor(s) and 3 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:1058325?
The CAS number of RefChem:1058325 is 155271-66-2.
What is the molecular formula of RefChem:1058325?
The molecular formula of RefChem:1058325 is C18H17F3N4O2.
What is the molecular weight of RefChem:1058325?
The molecular weight of RefChem:1058325 is 378.13 g/mol.
Where can I buy RefChem:1058325?
You can request a quote for RefChem:1058325 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058325?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058325 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.