4-吡啶甲酸N-氧化物
TL;DR: 4-吡啶甲酸N-氧化物 (CAS 13602-12-5) is a chemical compound with molecular formula C6H5NO3 and molecular weight 139.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-吡啶甲酸N-氧化物
1-oxidopyridin-1-ium-4-carboxylic acid
Also Known As: ISONICOTINIC ACID N-OXIDE, 4-Carboxypyridine 1-oxide, Pyridine-4-carboxylic Acid N-Oxide, Isonicotinic acid 1-oxide, Topiroxostat Impurity 3
| Molecular Formula | C6H5NO3 |
|---|---|
| Molecular Weight | 139.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.02695 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 13602-12-5 |
|---|---|
| SMILES | C1=C[N+](=CC=C1C(=O)O)[O-] |
| InChIKey | QCWTWMJMLSKQCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-吡啶甲酸N-氧化物 (CAS 13602-12-5), with molecular formula C6H5NO3 and molecular weight 139.03 g/mol. IUPAC: 1-oxidopyridin-1-ium-4-carboxylic acid.
Chemical Property Profile of 4-吡啶甲酸N-氧化物
Property Insights of 4-吡啶甲酸N-氧化物
The XLogP value of -0.6 indicates that 4-吡啶甲酸N-氧化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-吡啶甲酸N-氧化物. Following Lipinski's Rule of Five, 4-吡啶甲酸N-氧化物 has 1 hydrogen bond donor(s) and 3 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-吡啶甲酸N-氧化物?
The CAS number of 4-吡啶甲酸N-氧化物 is 13602-12-5.
What is the molecular formula of 4-吡啶甲酸N-氧化物?
The molecular formula of 4-吡啶甲酸N-氧化物 is C6H5NO3.
What is the molecular weight of 4-吡啶甲酸N-氧化物?
The molecular weight of 4-吡啶甲酸N-氧化物 is 139.03 g/mol.
Where can I buy 4-吡啶甲酸N-氧化物?
You can request a quote for 4-吡啶甲酸N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-吡啶甲酸N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4-吡啶甲酸N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.