2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate
TL;DR: 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate (CAS 178332-58-6) is a chemical compound with molecular formula C19H14N4O5S and molecular weight 410.07 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-nitrobenzenesulfonate
Also Known As: BAS 00119659, [2-(benzotriazol-2-yl)-4-methylphenyl] 4-nitrobenzenesulfonate, 2-(2-hydrobenzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate, 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate
| Molecular Formula | C19H14N4O5S |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 3.40482 |
| Topological Polar Surface Area | 117.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.06848 |
| Heavy Atoms | 29 |
| Complexity | 1297.4857 |
Chemical Identifiers
| CAS Number | 178332-58-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3N=C4C=CC=CC4=N3 |
Product Overview
2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate (CAS 178332-58-6), with molecular formula C19H14N4O5S and molecular weight 410.07 g/mol. IUPAC: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-nitrobenzenesulfonate.
Chemical Property Profile of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate
Property Insights of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate
The XLogP value of 3.40482 indicates that 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate?
The CAS number of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate is 178332-58-6.
What is the molecular formula of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate?
The molecular formula of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate is C19H14N4O5S.
What is the molecular weight of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate?
The molecular weight of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate is 410.07 g/mol.
Where can I buy 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate?
You can request a quote for 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate 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-methylphenyl 4-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.