5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid
TL;DR: 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid (CAS 400087-07-2) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
Also Known As: 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid, 5-(P-tolyl)-1,2,4-oxadiazole-3-carboxylic acid, 5-p-Tolyl-1,2,4-oxadiazole-3-carboxylic acid, 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylicAcid
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 1.74322 |
| Topological Polar Surface Area | 76.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 487.62354 |
Chemical Identifiers
| CAS Number | 400087-07-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=NO2)C(=O)O |
Product Overview
5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid (CAS 400087-07-2), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid.
Chemical Property Profile of 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid
Property Insights of 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid
The XLogP value of 1.74322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid. The TPSA of 76.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid. Following Lipinski's Rule of Five, 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid has 1 hydrogen bond donor(s) and 4 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-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid?
The CAS number of 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid is 400087-07-2.
What is the molecular formula of 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid?
The molecular formula of 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid is C10H8N2O3.
What is the molecular weight of 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid?
The molecular weight of 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid is 204.05 g/mol.
Where can I buy 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid?
You can request a quote for 5-(4-methylphenyl)-1,2,4-oxadiazole-3-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-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.