DIOX2_022845
TL;DR: DIOX2_022845 (CAS 6096-79-3) is a chemical compound with molecular formula C47H64N2O5S and molecular weight 768.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-[4-[4-[(dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzenesulfonamide
Also Known As: DIOX2_022845, N-[(4'-{4-[(Dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}[1,1'-biphenyl]-2-yl)methyl]benzenesulfonamide, N-[[2-[4-[4-[(dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzenesulfonamide
| Molecular Formula | C47H64N2O5S |
|---|---|
| Molecular Weight | 768.45 g/mol |
| LogP | 10.8928 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Exact Mass | 768.4536 |
| Heavy Atoms | 55 |
| Complexity | 1749.5447 |
Chemical Identifiers
| CAS Number | 6096-79-3 |
|---|---|
| SMILES | CCCCCCCCN(CCCCCCCC)CC1CC(OC(O1)C2=CC=C(C=C2)C3=CC=CC=C3CNS(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)CO |
Product Overview
DIOX2_022845 (CAS 6096-79-3), with molecular formula C47H64N2O5S and molecular weight 768.45 g/mol. IUPAC: N-[[2-[4-[4-[(dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzenesulfonamide.
Chemical Property Profile of DIOX2_022845
Property Insights of DIOX2_022845
The XLogP value of 10.8928 indicates that DIOX2_022845 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for DIOX2_022845. Following Lipinski's Rule of Five, DIOX2_022845 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DIOX2_022845?
The CAS number of DIOX2_022845 is 6096-79-3.
What is the molecular formula of DIOX2_022845?
The molecular formula of DIOX2_022845 is C47H64N2O5S.
What is the molecular weight of DIOX2_022845?
The molecular weight of DIOX2_022845 is 768.45 g/mol.
Where can I buy DIOX2_022845?
You can request a quote for DIOX2_022845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX2_022845?
Yes, KEHONG BIO provides custom synthesis services for DIOX2_022845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.