3-Hydroxy-4-methyl-5-nitrobenzoic acid
TL;DR: 3-Hydroxy-4-methyl-5-nitrobenzoic acid (CAS 54591-64-9) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-methyl-5-nitrobenzoic acid
Also Known As: 3-hydroxy-4-methyl-5-nitrobenzoic acid, 5-Nitro-3,4-cresotic acid, Benzoic acid, 3-hydroxy-4-methyl-5-nitro-, 3-hydroxy-4-methyl-5-nitro-benzoic acid, Benzoic acid,3-hydroxy-4-methyl-5-nitro
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 54591-64-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1O)C(=O)O)[N+](=O)[O-] |
| InChIKey | JOXQJFFUMZMILL-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-4-methyl-5-nitrobenzoic acid (CAS 54591-64-9), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: 3-hydroxy-4-methyl-5-nitrobenzoic acid.
Chemical Property Profile of 3-Hydroxy-4-methyl-5-nitrobenzoic acid
Property Insights of 3-Hydroxy-4-methyl-5-nitrobenzoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4-methyl-5-nitrobenzoic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-4-methyl-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-Hydroxy-4-methyl-5-nitrobenzoic acid has 2 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-Hydroxy-4-methyl-5-nitrobenzoic acid?
The CAS number of 3-Hydroxy-4-methyl-5-nitrobenzoic acid is 54591-64-9.
What is the molecular formula of 3-Hydroxy-4-methyl-5-nitrobenzoic acid?
The molecular formula of 3-Hydroxy-4-methyl-5-nitrobenzoic acid is C8H7NO5.
What is the molecular weight of 3-Hydroxy-4-methyl-5-nitrobenzoic acid?
The molecular weight of 3-Hydroxy-4-methyl-5-nitrobenzoic acid is 197.03 g/mol.
Where can I buy 3-Hydroxy-4-methyl-5-nitrobenzoic acid?
You can request a quote for 3-Hydroxy-4-methyl-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 3-Hydroxy-4-methyl-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-methyl-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.