RefChem:1058260
TL;DR: RefChem:1058260 (CAS 155271-73-1) is a chemical compound with molecular formula C19H19F3N4O3 and molecular weight 408.14 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-(trifluoromethoxy)phenyl]ethenyl]purine-2,6-dione
Also Known As: (E)-1,3-Diethyl-7-methyl-8-(3-trifluoromethoxystyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(3-(trifluoromethoxy)phenyl)ethenyl)-, (E)-, 1,3-diethyl-7-methyl-8-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]purine-2,6-dione, RefChem:1058260
| Molecular Formula | C19H19F3N4O3 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 3.0055 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.14093 |
| Heavy Atoms | 29 |
| Complexity | 1202.3456 |
Chemical Identifiers
| CAS Number | 155271-73-1 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=CC=C3)OC(F)(F)F)C |
Product Overview
RefChem:1058260 (CAS 155271-73-1), with molecular formula C19H19F3N4O3 and molecular weight 408.14 g/mol. IUPAC: 1,3-diethyl-7-methyl-8-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]purine-2,6-dione.
Chemical Property Profile of RefChem:1058260
Property Insights of RefChem:1058260
The XLogP value of 3.0055 indicates that RefChem:1058260 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058260. Following Lipinski's Rule of Five, RefChem:1058260 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:1058260?
The CAS number of RefChem:1058260 is 155271-73-1.
What is the molecular formula of RefChem:1058260?
The molecular formula of RefChem:1058260 is C19H19F3N4O3.
What is the molecular weight of RefChem:1058260?
The molecular weight of RefChem:1058260 is 408.14 g/mol.
Where can I buy RefChem:1058260?
You can request a quote for RefChem:1058260 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058260?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058260 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.