5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid
TL;DR: 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid (CAS 624-55-5) is a chemical compound with molecular formula C15H13NO6 and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-2-nitro-5-phenylmethoxybenzoic acid
Also Known As: 5-(benzyloxy)-4-methoxy-2-nitrobenzoic acid, 4-methoxy-2-nitro-5-phenylmethoxybenzoic acid, 3-benzyloxy-4-methoxy-6-nitro-benzoic acid, 1,7-dimethyl-1H-indole-3-carbaldehyde, 5-benzyloxy-4-methoxy-2-nitro-benzoic acid
| Molecular Formula | C15H13NO6 |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 2.8806 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.07428 |
| Heavy Atoms | 22 |
| Complexity | 698.6789 |
Chemical Identifiers
| CAS Number | 624-55-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)OCC2=CC=CC=C2 |
Product Overview
5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid (CAS 624-55-5), with molecular formula C15H13NO6 and molecular weight 303.07 g/mol. IUPAC: 4-methoxy-2-nitro-5-phenylmethoxybenzoic acid.
Chemical Property Profile of 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid
Property Insights of 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid
The XLogP value of 2.8806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 5-(Benzyloxy)-4-methoxy-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 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid?
The CAS number of 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid is 624-55-5.
What is the molecular formula of 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid?
The molecular formula of 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid is C15H13NO6.
What is the molecular weight of 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid?
The molecular weight of 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid is 303.07 g/mol.
Where can I buy 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid?
You can request a quote for 5-(Benzyloxy)-4-methoxy-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 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.