Niometacin
TL;DR: Niometacin (CAS 16426-83-8) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-methoxy-2-methyl-1-(pyridine-3-carbonyl)indol-3-yl]acetic acid
Also Known As: Niometacin, Niometacina, Niometacine, Niometacinum, Niometacin [INN]
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 16426-83-8 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CN=CC=C3)C=CC(=C2)OC)CC(=O)O |
| InChIKey | DDQOEXWUZHRSOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Niometacin (CAS 16426-83-8), with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol. IUPAC: 2-[5-methoxy-2-methyl-1-(pyridine-3-carbonyl)indol-3-yl]acetic acid.
Chemical Property Profile of Niometacin
Property Insights of Niometacin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Niometacin. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Niometacin. Following Lipinski's Rule of Five, Niometacin 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 Niometacin?
The CAS number of Niometacin is 16426-83-8.
What is the molecular formula of Niometacin?
The molecular formula of Niometacin is C18H16N2O4.
What is the molecular weight of Niometacin?
The molecular weight of Niometacin is 324.11 g/mol.
Where can I buy Niometacin?
You can request a quote for Niometacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Niometacin?
Yes, KEHONG BIO provides custom synthesis services for Niometacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.