Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester
TL;DR: Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester (CAS 1153-45-3) is a chemical compound with molecular formula C13H11NO5S and molecular weight 293.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-methylbenzenesulfonate
Also Known As: 4-Nitrophenyl tosylate, p-Nitrophenyl tosylate, p-Nitrophenyltosylate, 4-nitrophenyl 4-methylbenzene-1-sulfonate, 4-nitrophenyl 4-methylbenzenesulfonate
| Molecular Formula | C13H11NO5S |
|---|---|
| Molecular Weight | 293.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.0358 |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 1153-45-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DOXAGUPGJPEQFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester (CAS 1153-45-3), with molecular formula C13H11NO5S and molecular weight 293.04 g/mol. IUPAC: (4-nitrophenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester
Property Insights of Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester
The XLogP value of 3.3 indicates that Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester 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 Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester 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 Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester?
The CAS number of Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester is 1153-45-3.
What is the molecular formula of Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester?
The molecular formula of Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester is C13H11NO5S.
What is the molecular weight of Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester?
The molecular weight of Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester is 293.04 g/mol.
Where can I buy Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester?
You can request a quote for Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.