4-硝基邻茴香酸
TL;DR: 4-硝基邻茴香酸 (CAS 2597-56-0) 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.
4-硝基邻茴香酸
2-methoxy-4-nitrobenzoic acid
Also Known As: 2-Methoxy-4-nitrobenzoic acid, 4-Nitro-o-anisic acid, null, 4-Nitro-2-methoxybenzoic acid, Benzoic acid, 2-methoxy-4-nitro-
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 2597-56-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | KPJXEWJRJKEOCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基邻茴香酸 (CAS 2597-56-0), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: 2-methoxy-4-nitrobenzoic acid.
Chemical Property Profile of 4-硝基邻茴香酸
Property Insights of 4-硝基邻茴香酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基邻茴香酸. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基邻茴香酸. Following Lipinski's Rule of Five, 4-硝基邻茴香酸 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 4-硝基邻茴香酸?
The CAS number of 4-硝基邻茴香酸 is 2597-56-0.
What is the molecular formula of 4-硝基邻茴香酸?
The molecular formula of 4-硝基邻茴香酸 is C8H7NO5.
What is the molecular weight of 4-硝基邻茴香酸?
The molecular weight of 4-硝基邻茴香酸 is 197.03 g/mol.
Where can I buy 4-硝基邻茴香酸?
You can request a quote for 4-硝基邻茴香酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基邻茴香酸?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基邻茴香酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.