4-硝基邻甲苯酸
TL;DR: 4-硝基邻甲苯酸 (CAS 1975-51-5) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基邻甲苯酸
2-methyl-4-nitrobenzoic acid
Also Known As: 2-Methyl-4-nitrobenzoic acid, 4-Nitro-o-toluic acid, 4-Nitro-2-methylbenzoic acid, Benzoic acid, 2-methyl-4-nitro-, 2-Methyl-4-nitro-benzoic acid
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 1975-51-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | XXXOBNJIIZQSPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基邻甲苯酸 (CAS 1975-51-5), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 2-methyl-4-nitrobenzoic acid.
Chemical Property Profile of 4-硝基邻甲苯酸
Property Insights of 4-硝基邻甲苯酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基邻甲苯酸. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基邻甲苯酸. Following Lipinski's Rule of Five, 4-硝基邻甲苯酸 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 4-硝基邻甲苯酸?
The CAS number of 4-硝基邻甲苯酸 is 1975-51-5.
What is the molecular formula of 4-硝基邻甲苯酸?
The molecular formula of 4-硝基邻甲苯酸 is C8H7NO4.
What is the molecular weight of 4-硝基邻甲苯酸?
The molecular weight of 4-硝基邻甲苯酸 is 181.04 g/mol.
Where can I buy 4-硝基邻甲苯酸?
You can request a quote for 4-硝基邻甲苯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基邻甲苯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基邻甲苯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.