Bisoctrizole
TL;DR: Bisoctrizole (CAS 103597-45-1) is a chemical compound with molecular formula C41H50N6O2 and molecular weight 658.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
Also Known As: Bisoctrizole, Tinosorb M, MBBT, Bisoctrizol, bisoctrizolum
| Molecular Formula | C41H50N6O2 |
|---|---|
| Molecular Weight | 658.40 g/mol |
| LogP | 9.584 |
| Topological Polar Surface Area | 101.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 658.39954 |
| Heavy Atoms | 49 |
| Complexity | 1937.7169 |
Chemical Identifiers
| CAS Number | 103597-45-1 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC4=C(C(=CC(=C4)C(C)(C)CC(C)(C)C)N5N=C6C=CC=CC6=N5)O |
Product Overview
Bisoctrizole (CAS 103597-45-1), with molecular formula C41H50N6O2 and molecular weight 658.40 g/mol. IUPAC: 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.
Chemical Property Profile of Bisoctrizole
Property Insights of Bisoctrizole
The XLogP value of 9.584 indicates that Bisoctrizole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Bisoctrizole. Following Lipinski's Rule of Five, Bisoctrizole 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 Bisoctrizole?
The CAS number of Bisoctrizole is 103597-45-1.
What is the molecular formula of Bisoctrizole?
The molecular formula of Bisoctrizole is C41H50N6O2.
What is the molecular weight of Bisoctrizole?
The molecular weight of Bisoctrizole is 658.40 g/mol.
Where can I buy Bisoctrizole?
You can request a quote for Bisoctrizole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisoctrizole?
Yes, KEHONG BIO provides custom synthesis services for Bisoctrizole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.