3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid
TL;DR: 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid (CAS 74063-40-4) is a chemical compound with molecular formula C15H13NO5 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-nitro-3-phenylmethoxybenzoic acid
Also Known As: 3-(benzyloxy)-4-methyl-2-nitrobenzoic acid, 4-methyl-2-nitro-3-phenylmethoxybenzoic acid, 3-benzyloxy-4-methyl-2-nitrobenzoic acid, 3-Benzyloxy-4-methyl-2-nitro-benzoesaeure, 4-Methyl-2-nitro-3-phenylmethoxy-benzoic acid
| Molecular Formula | C15H13NO5 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.07938 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 74063-40-4 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])OCC2=CC=CC=C2 |
| InChIKey | KGXQEFGUQIDSMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid (CAS 74063-40-4), with molecular formula C15H13NO5 and molecular weight 287.08 g/mol. IUPAC: 4-methyl-2-nitro-3-phenylmethoxybenzoic acid.
Chemical Property Profile of 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid
Property Insights of 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid
The XLogP value of 3.1 indicates that 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid has 1 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 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid?
The CAS number of 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid is 74063-40-4.
What is the molecular formula of 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid?
The molecular formula of 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid is C15H13NO5.
What is the molecular weight of 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid?
The molecular weight of 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid is 287.08 g/mol.
Where can I buy 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid?
You can request a quote for 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzyloxy)-4-methyl-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.