2-(Benzyloxy)-5-nitrobenzoic acid
TL;DR: 2-(Benzyloxy)-5-nitrobenzoic acid (CAS 874523-84-9) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-phenylmethoxybenzoic acid
Also Known As: 2-(Benzyloxy)-5-nitrobenzoic acid, 2-(Benzyloxy)-5-nitrobenzenecarboxylic acid, 5-nitro-2-phenylmethoxybenzoic acid, NIOSH/DG4340710, 5-Nitro-2-benzyloxybenzoic acid
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.872 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 639.26746 |
Chemical Identifiers
| CAS Number | 874523-84-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
Product Overview
2-(Benzyloxy)-5-nitrobenzoic acid (CAS 874523-84-9), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: 5-nitro-2-phenylmethoxybenzoic acid.
Chemical Property Profile of 2-(Benzyloxy)-5-nitrobenzoic acid
Property Insights of 2-(Benzyloxy)-5-nitrobenzoic acid
The XLogP value of 2.872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzyloxy)-5-nitrobenzoic acid. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzyloxy)-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-(Benzyloxy)-5-nitrobenzoic acid has 1 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 2-(Benzyloxy)-5-nitrobenzoic acid?
The CAS number of 2-(Benzyloxy)-5-nitrobenzoic acid is 874523-84-9.
What is the molecular formula of 2-(Benzyloxy)-5-nitrobenzoic acid?
The molecular formula of 2-(Benzyloxy)-5-nitrobenzoic acid is C14H11NO5.
What is the molecular weight of 2-(Benzyloxy)-5-nitrobenzoic acid?
The molecular weight of 2-(Benzyloxy)-5-nitrobenzoic acid is 273.06 g/mol.
Where can I buy 2-(Benzyloxy)-5-nitrobenzoic acid?
You can request a quote for 2-(Benzyloxy)-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzyloxy)-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzyloxy)-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.