N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine
TL;DR: N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine (CAS 126565-13-7) is a chemical compound with molecular formula C28H11F15N4O3 and molecular weight 736.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[difluoro-(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro-(2,3,4-trifluorophenyl)methyl]purine-2,6-dione
Also Known As: (Pfbz)3-N7-hex, N1,N3-Bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine, 7-[2-[difluoro-(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro-(2,3,4-trifluorophenyl)methyl]purine-2,6-dione, 1H-Purine-2,6-dione,3,7-dihydro-7-[2-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethyl]-1,3-bis[(2,3,4,5,6-pentafluorophenyl)methyl]-, 3,7-Dihydro-7-(2-((pentafluorophenyl)methoxy)ethyl-1,3-bis(pentafluorophenyl)methyl)-1H-purine-2,6-dione
| Molecular Formula | C28H11F15N4O3 |
|---|---|
| Molecular Weight | 736.06 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 736.05914 |
| Heavy Atoms | 50 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 126565-13-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1C(N2C3=C(C(=O)N(C2=O)C(C4=C(C(=C(C=C4)F)F)F)(F)F)N(C=N3)CCOC(C5=C(C(=C(C=C5)F)F)F)(F)F)(F)F)F)F)F |
| InChIKey | BRANLRGEABFFJE-UHFFFAOYSA-N |
Product Overview
N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine (CAS 126565-13-7), with molecular formula C28H11F15N4O3 and molecular weight 736.06 g/mol. IUPAC: 7-[2-[difluoro-(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro-(2,3,4-trifluorophenyl)methyl]purine-2,6-dione.
Chemical Property Profile of N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine
Property Insights of N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine
The XLogP value of 7.0 indicates that N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine. Following Lipinski's Rule of Five, N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine?
The CAS number of N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine is 126565-13-7.
What is the molecular formula of N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine?
The molecular formula of N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine is C28H11F15N4O3.
What is the molecular weight of N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine?
The molecular weight of N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine is 736.06 g/mol.
Where can I buy N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine?
You can request a quote for N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine?
Yes, KEHONG BIO provides custom synthesis services for N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.