2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate
TL;DR: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate (CAS 331983-01-8) is a chemical compound with molecular formula C25H18N4O6S and molecular weight 502.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzotriazol-2-yl)-4-methylphenyl] 4-(4-nitrophenoxy)benzenesulfonate
Also Known As: BAS 00729857, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate, [2-(benzotriazol-2-yl)-4-methylphenyl] 4-(4-nitrophenoxy)benzenesulfonate, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-(4-nitrophenoxy)benzenesulfonate
| Molecular Formula | C25H18N4O6S |
|---|---|
| Molecular Weight | 502.09 g/mol |
| LogP | 5.19712 |
| Topological Polar Surface Area | 126.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.0947 |
| Heavy Atoms | 36 |
| Complexity | 1647.57 |
Chemical Identifiers
| CAS Number | 331983-01-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-])N4N=C5C=CC=CC5=N4 |
Product Overview
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate (CAS 331983-01-8), with molecular formula C25H18N4O6S and molecular weight 502.09 g/mol. IUPAC: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-(4-nitrophenoxy)benzenesulfonate.
Chemical Property Profile of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate
Property Insights of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate
The XLogP value of 5.19712 indicates that 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate. Following Lipinski's Rule of Five, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate has 0 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 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate?
The CAS number of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate is 331983-01-8.
What is the molecular formula of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate?
The molecular formula of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate is C25H18N4O6S.
What is the molecular weight of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate?
The molecular weight of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate is 502.09 g/mol.
Where can I buy 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate?
You can request a quote for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}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-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-{4-nitrophenoxy}benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.