DIOX2_016452
TL;DR: DIOX2_016452 (CAS 6096-18-0) is a chemical compound with molecular formula C35H31F5N4O6 and molecular weight 698.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentafluoro-N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]benzamide
Also Known As: DIOX2_016452, 2,3,4,5,6-pentafluoro-N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]benzamide, 2,3,4,5,6-Pentafluoro-N-[3-(4-[4-(hydroxymethyl)phenyl]-6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-1,3-dioxan-2-yl)phenyl]benzamide
| Molecular Formula | C35H31F5N4O6 |
|---|---|
| Molecular Weight | 698.22 g/mol |
| LogP | 6.4025 |
| Topological Polar Surface Area | 117.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 698.2164 |
| Heavy Atoms | 50 |
| Complexity | 1844.0891 |
Chemical Identifiers
| CAS Number | 6096-18-0 |
|---|---|
| SMILES | C1CN(CCN1CC2CC(OC(O2)C3=CC(=CC=C3)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)C5=CC=C(C=C5)CO)C6=CC=C(C=C6)[N+](=O)[O-] |
Product Overview
DIOX2_016452 (CAS 6096-18-0), with molecular formula C35H31F5N4O6 and molecular weight 698.22 g/mol. IUPAC: 2,3,4,5,6-pentafluoro-N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]benzamide.
Chemical Property Profile of DIOX2_016452
Property Insights of DIOX2_016452
The XLogP value of 6.4025 indicates that DIOX2_016452 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.41 Ų falls within the moderate polarity range, balancing permeability and solubility for DIOX2_016452. Following Lipinski's Rule of Five, DIOX2_016452 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DIOX2_016452?
The CAS number of DIOX2_016452 is 6096-18-0.
What is the molecular formula of DIOX2_016452?
The molecular formula of DIOX2_016452 is C35H31F5N4O6.
What is the molecular weight of DIOX2_016452?
The molecular weight of DIOX2_016452 is 698.22 g/mol.
Where can I buy DIOX2_016452?
You can request a quote for DIOX2_016452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX2_016452?
Yes, KEHONG BIO provides custom synthesis services for DIOX2_016452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.