4-Nitrobenzoic acid, 3-methylphenyl ester
TL;DR: 4-Nitrobenzoic acid, 3-methylphenyl ester (CAS 7506-49-2) 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.
(3-methylphenyl) 4-nitrobenzoate
Also Known As: 3-methylphenyl 4-nitrobenzoate, m-tolyl 4-nitrobenzoate, (3-methylphenyl) 4-nitrobenzoate, 4-Nitrobenzoic acid, 3-methylphenyl ester, 4-Nitro-benzoic acid m-tolyl ester
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.6 |
| 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 | 331.0 |
Chemical Identifiers
| CAS Number | 7506-49-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | WIBCITOJDNRTAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzoic acid, 3-methylphenyl ester (CAS 7506-49-2), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: (3-methylphenyl) 4-nitrobenzoate.
Chemical Property Profile of 4-Nitrobenzoic acid, 3-methylphenyl ester
Property Insights of 4-Nitrobenzoic acid, 3-methylphenyl ester
The XLogP value of 3.6 indicates that 4-Nitrobenzoic acid, 3-methylphenyl 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 4-Nitrobenzoic acid, 3-methylphenyl ester. Following Lipinski's Rule of Five, 4-Nitrobenzoic acid, 3-methylphenyl 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 4-Nitrobenzoic acid, 3-methylphenyl ester?
The CAS number of 4-Nitrobenzoic acid, 3-methylphenyl ester is 7506-49-2.
What is the molecular formula of 4-Nitrobenzoic acid, 3-methylphenyl ester?
The molecular formula of 4-Nitrobenzoic acid, 3-methylphenyl ester is C14H11NO4.
What is the molecular weight of 4-Nitrobenzoic acid, 3-methylphenyl ester?
The molecular weight of 4-Nitrobenzoic acid, 3-methylphenyl ester is 257.07 g/mol.
Where can I buy 4-Nitrobenzoic acid, 3-methylphenyl ester?
You can request a quote for 4-Nitrobenzoic acid, 3-methylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzoic acid, 3-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzoic acid, 3-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.