p-Toluic acid, 4-nitrophenyl ester
TL;DR: p-Toluic acid, 4-nitrophenyl ester (CAS 15023-67-3) is a chemical compound with molecular formula C14H11NO4 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-methylbenzoate
Also Known As: 4-nitrophenyl 4-methylbenzoate, (4-nitrophenyl) 4-methylbenzoate, p-Toluic acid, 4-nitrophenyl ester, 4-nitrophenyl 4-methyl-benzoate, 4-methylbenzoic acid 4-nitrophenyl ester
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 15023-67-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | IQTZVMBCINKMHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Toluic acid, 4-nitrophenyl ester (CAS 15023-67-3), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: (4-nitrophenyl) 4-methylbenzoate.
Chemical Property Profile of p-Toluic acid, 4-nitrophenyl ester
Property Insights of p-Toluic acid, 4-nitrophenyl ester
The XLogP value of 3.8 indicates that p-Toluic acid, 4-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Toluic acid, 4-nitrophenyl ester. Following Lipinski's Rule of Five, p-Toluic acid, 4-nitrophenyl ester has 0 hydrogen bond donor(s) and 4 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-Toluic acid, 4-nitrophenyl ester?
The CAS number of p-Toluic acid, 4-nitrophenyl ester is 15023-67-3.
What is the molecular formula of p-Toluic acid, 4-nitrophenyl ester?
The molecular formula of p-Toluic acid, 4-nitrophenyl ester is C14H11NO4.
What is the molecular weight of p-Toluic acid, 4-nitrophenyl ester?
The molecular weight of p-Toluic acid, 4-nitrophenyl ester is 257.07 g/mol.
Where can I buy p-Toluic acid, 4-nitrophenyl ester?
You can request a quote for p-Toluic acid, 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 p-Toluic acid, 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Toluic acid, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.