p-Toluenesulfonic acid, m-nitrophenyl ester
TL;DR: p-Toluenesulfonic acid, m-nitrophenyl ester (CAS 3899-90-9) 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.
(3-nitrophenyl) 4-methylbenzenesulfonate
Also Known As: 3-Nitrophenyl 4-methylbenzenesulfonate, m-Nitrophenyl tosylate, 3-Nitrophenyl tosylate, 3-Nitrophenyl p-Toluenesulfonate, p-Toluenesulfonic Acid 3-Nitrophenyl Ester
| 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 | 431.0 |
Chemical Identifiers
| CAS Number | 3899-90-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | QRMMIQVSVATYQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Toluenesulfonic acid, m-nitrophenyl ester (CAS 3899-90-9), with molecular formula C13H11NO5S and molecular weight 293.04 g/mol. IUPAC: (3-nitrophenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of p-Toluenesulfonic acid, m-nitrophenyl ester
Property Insights of p-Toluenesulfonic acid, m-nitrophenyl ester
The XLogP value of 3.3 indicates that p-Toluenesulfonic acid, m-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 p-Toluenesulfonic acid, m-nitrophenyl ester. Following Lipinski's Rule of Five, p-Toluenesulfonic acid, m-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 p-Toluenesulfonic acid, m-nitrophenyl ester?
The CAS number of p-Toluenesulfonic acid, m-nitrophenyl ester is 3899-90-9.
What is the molecular formula of p-Toluenesulfonic acid, m-nitrophenyl ester?
The molecular formula of p-Toluenesulfonic acid, m-nitrophenyl ester is C13H11NO5S.
What is the molecular weight of p-Toluenesulfonic acid, m-nitrophenyl ester?
The molecular weight of p-Toluenesulfonic acid, m-nitrophenyl ester is 293.04 g/mol.
Where can I buy p-Toluenesulfonic acid, m-nitrophenyl ester?
You can request a quote for p-Toluenesulfonic acid, m-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluenesulfonic acid, m-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Toluenesulfonic acid, m-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.