5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid
TL;DR: 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid (CAS 59672-96-7) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-hydroxy-3-nitrobenzoic acid
Also Known As: 5-tert-Butyl-3-nitrosalicylic acid, 5-(tert-butyl)-2-hydroxy-3-nitrobenzoic acid, 5-tert-butyl-2-hydroxy-3-nitrobenzoic acid, 2-hydroxy-3-nitro-5-tert-butyl-benzoic Acid
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 2.2961 |
| Topological Polar Surface Area | 100.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 452.12054 |
Chemical Identifiers
| CAS Number | 59672-96-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O |
Product Overview
5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid (CAS 59672-96-7), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: 5-tert-butyl-2-hydroxy-3-nitrobenzoic acid.
Chemical Property Profile of 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid
Property Insights of 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid
The XLogP value of 2.2961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid. The TPSA of 100.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid has 2 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 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid?
The CAS number of 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid is 59672-96-7.
What is the molecular formula of 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid?
The molecular formula of 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid is C11H13NO5.
What is the molecular weight of 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid?
The molecular weight of 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid is 239.08 g/mol.
Where can I buy 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid?
You can request a quote for 5-(Tert-butyl)-2-hydroxy-3-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-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Tert-butyl)-2-hydroxy-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.