1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
TL;DR: 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 31802-86-5) is a chemical compound with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylic acid
Also Known As: 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid, diethyl-bis(methylsulfanyl)germane, 1-(4-Methoxy-phenyl)-5-methyl-1H-[1,2,3]triazole-4-carboxylic acid, BAS 11055309, 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylic acid
| Molecular Formula | C11H11N3O3 |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.08005 |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 31802-86-5 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=C(C=C2)OC)C(=O)O |
| InChIKey | IYWFMFVCWDZXMJ-UHFFFAOYSA-N |
Product Overview
1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 31802-86-5), with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol. IUPAC: 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylic acid.
Chemical Property Profile of 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Property Insights of 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-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 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid is 31802-86-5.
What is the molecular formula of 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid is C11H11N3O3.
What is the molecular weight of 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid is 233.08 g/mol.
Where can I buy 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.