5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid
TL;DR: 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid (CAS 439111-01-0) is a chemical compound with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic acid
Also Known As: 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid, 6R-0068
| Molecular Formula | C11H9N3O3 |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 1.2454 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.06439 |
| Heavy Atoms | 17 |
| Complexity | 542.91284 |
Chemical Identifiers
| CAS Number | 439111-01-0 |
|---|---|
| SMILES | COC1=C(N=NC(=N1)C2=CC=CC=C2)C(=O)O |
Product Overview
5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid (CAS 439111-01-0), with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol. IUPAC: 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic acid.
Chemical Property Profile of 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid
Property Insights of 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid
The XLogP value of 1.2454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid. Following Lipinski's Rule of Five, 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid 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 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid?
The CAS number of 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid is 439111-01-0.
What is the molecular formula of 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid?
The molecular formula of 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid is C11H9N3O3.
What is the molecular weight of 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid?
The molecular weight of 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid is 231.06 g/mol.
Where can I buy 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid?
You can request a quote for 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-methoxy-3-phenyl-1,2,4-triazine-6-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.