2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate
TL;DR: 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate (CAS 75872-89-8) is a chemical compound with molecular formula C26H29N3O4S and molecular weight 479.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] phenyl sulfate
Also Known As: 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate, Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-, 1-benzenesulfonate, Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-, benzenesulfonate (ester), [2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] phenyl sulfate, 2-[2-phenoxysulfonyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazole
| Molecular Formula | C26H29N3O4S |
|---|---|
| Molecular Weight | 479.19 g/mol |
| LogP | 5.8369 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.18787 |
| Heavy Atoms | 34 |
| Complexity | 1372.0173 |
Chemical Identifiers
| CAS Number | 75872-89-8 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OS(=O)(=O)OC2=CC=CC=C2)N3N=C4C=CC=CC4=N3 |
Product Overview
2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate (CAS 75872-89-8), with molecular formula C26H29N3O4S and molecular weight 479.19 g/mol. IUPAC: [2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] phenyl sulfate.
Chemical Property Profile of 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate
Property Insights of 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate
The XLogP value of 5.8369 indicates that 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate. Following Lipinski's Rule of Five, 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate has 0 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 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate?
The CAS number of 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate is 75872-89-8.
What is the molecular formula of 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate?
The molecular formula of 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate is C26H29N3O4S.
What is the molecular weight of 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate?
The molecular weight of 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate is 479.19 g/mol.
Where can I buy 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate?
You can request a quote for 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-Benzotriazol-2-yl)-4-(tert-octylphenyl) benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.