4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid
TL;DR: 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid (CAS 95124-68-8) 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.
4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
Also Known As: 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid, null, 4- BENZOICACID, Benzoic acid, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-, 4-(5-Methyl-124-oxadiazol-3-yl)benzoic acid
| 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 | 95124-68-8 |
|---|---|
| SMILES | CC1=NC(=NO1)C2=CC=C(C=C2)C(=O)O |
Product Overview
4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid (CAS 95124-68-8), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid.
Chemical Property Profile of 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid
Property Insights of 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid
The XLogP value of 1.74322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid. The TPSA of 76.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic 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 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The CAS number of 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid is 95124-68-8.
What is the molecular formula of 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The molecular formula of 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid is C10H8N2O3.
What is the molecular weight of 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The molecular weight of 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid is 204.05 g/mol.
Where can I buy 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
You can request a quote for 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.