RefChem:1058296
TL;DR: RefChem:1058296 (CAS 155271-72-0) is a chemical compound with molecular formula C18H17F3N4O3 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-8-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-7H-purine-2,6-dione
Also Known As: (E)-1,3-Diethyl-8-(3-trifluoromethoxystyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-(trifluoromethoxy)phenyl)ethenyl)-, (E)-, (E)-1,3-Diethyl-8-(2-(3-(trifluoromethoxy)phenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-diethyl-8-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-7H-purine-2,6-dione, RefChem:1058296
| Molecular Formula | C18H17F3N4O3 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 2.9951 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.12527 |
| Heavy Atoms | 28 |
| Complexity | 1155.563 |
Chemical Identifiers
| CAS Number | 155271-72-0 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC(=CC=C3)OC(F)(F)F |
Product Overview
RefChem:1058296 (CAS 155271-72-0), with molecular formula C18H17F3N4O3 and molecular weight 394.13 g/mol. IUPAC: 1,3-diethyl-8-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-7H-purine-2,6-dione.
Chemical Property Profile of RefChem:1058296
Property Insights of RefChem:1058296
The XLogP value of 2.9951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058296. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058296. Following Lipinski's Rule of Five, RefChem:1058296 has 1 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:1058296?
The CAS number of RefChem:1058296 is 155271-72-0.
What is the molecular formula of RefChem:1058296?
The molecular formula of RefChem:1058296 is C18H17F3N4O3.
What is the molecular weight of RefChem:1058296?
The molecular weight of RefChem:1058296 is 394.13 g/mol.
Where can I buy RefChem:1058296?
You can request a quote for RefChem:1058296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058296?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.