(E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f)
TL;DR: (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f) (CAS 155271-87-7) is a chemical compound with molecular formula C19H19F3N4O2 and molecular weight 392.15 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-(trifluoromethyl)phenyl]ethenyl]purine-2,6-dione
Also Known As: (E)-1,3-Diethyl-7-methyl-8-(3-trifluoromethylstyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(3-(trifluoromethyl)phenyl)ethenyl)-, (E)-, (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f), (E)-8-[3-(Trifluoromethyl)styryl]-1,3-diethyl-7- methylxanthine (6f), 1,3-diethyl-7-methyl-8-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]purine-2,6-dione
| Molecular Formula | C19H19F3N4O2 |
|---|---|
| Molecular Weight | 392.15 g/mol |
| LogP | 3.1257 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.146 |
| Heavy Atoms | 28 |
| Complexity | 1182.8228 |
Chemical Identifiers
| CAS Number | 155271-87-7 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=CC=C3)C(F)(F)F)C |
Product Overview
(E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f) (CAS 155271-87-7), with molecular formula C19H19F3N4O2 and molecular weight 392.15 g/mol. IUPAC: 1,3-diethyl-7-methyl-8-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]purine-2,6-dione.
Chemical Property Profile of (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f)
Property Insights of (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f)
The XLogP value of 3.1257 indicates that (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f). Following Lipinski's Rule of Five, (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f) has 0 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 (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f)?
The CAS number of (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f) is 155271-87-7.
What is the molecular formula of (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f)?
The molecular formula of (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f) is C19H19F3N4O2.
What is the molecular weight of (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f)?
The molecular weight of (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f) is 392.15 g/mol.
Where can I buy (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f)?
You can request a quote for (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f)?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.