2-(2-Nitrophenyl)ethyl p-toluenesulfonate
TL;DR: 2-(2-Nitrophenyl)ethyl p-toluenesulfonate (CAS 69628-96-2) is a chemical compound with molecular formula C15H15NO5S and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitrophenyl)ethyl 4-methylbenzenesulfonate
Also Known As: 2-Nitrophenethyl tosylate, 2-(2-Nitrophenyl)ethyl 4-methylbenzenesulfonate, 2-(2-nitrophenyl)ethyl 4-methylbenzene-1-sulfonate, 2-(2-Nitrophenyl)ethyl p-toluenesulfonate, 2-(2-nitrophenyl)-ethyl p-toluenesulfonate
| Molecular Formula | C15H15NO5S |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.0671 |
| Heavy Atoms | 22 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 69628-96-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | FBLDLJMRGSZGCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Nitrophenyl)ethyl p-toluenesulfonate (CAS 69628-96-2), with molecular formula C15H15NO5S and molecular weight 321.07 g/mol. IUPAC: 2-(2-nitrophenyl)ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(2-Nitrophenyl)ethyl p-toluenesulfonate
Property Insights of 2-(2-Nitrophenyl)ethyl p-toluenesulfonate
The XLogP value of 3.4 indicates that 2-(2-Nitrophenyl)ethyl p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Nitrophenyl)ethyl p-toluenesulfonate. Following Lipinski's Rule of Five, 2-(2-Nitrophenyl)ethyl p-toluenesulfonate has 0 hydrogen bond donor(s) and 5 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-(2-Nitrophenyl)ethyl p-toluenesulfonate?
The CAS number of 2-(2-Nitrophenyl)ethyl p-toluenesulfonate is 69628-96-2.
What is the molecular formula of 2-(2-Nitrophenyl)ethyl p-toluenesulfonate?
The molecular formula of 2-(2-Nitrophenyl)ethyl p-toluenesulfonate is C15H15NO5S.
What is the molecular weight of 2-(2-Nitrophenyl)ethyl p-toluenesulfonate?
The molecular weight of 2-(2-Nitrophenyl)ethyl p-toluenesulfonate is 321.07 g/mol.
Where can I buy 2-(2-Nitrophenyl)ethyl p-toluenesulfonate?
You can request a quote for 2-(2-Nitrophenyl)ethyl p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Nitrophenyl)ethyl p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitrophenyl)ethyl p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.