![4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid structure](/static/products/3316/331-61-3.webp)
4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
TL;DR: 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CAS 331-61-3) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
Also Known As: 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid, 4-(3-p-Tolyl-[1,2,4]oxadiazol-5-yl)-butyric acid, 3-Fluoro-4-methoxybenzyl bromide, ZERENEX E/5111207, 0700AF
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.45232 |
| Topological Polar Surface Area | 76.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 531.4243 |
Chemical Identifiers
| CAS Number | 331-61-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NOC(=N2)CCCC(=O)O |
Product Overview
4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CAS 331-61-3), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid.
Chemical Property Profile of 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
Property Insights of 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
The XLogP value of 2.45232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid. The TPSA of 76.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid. Following Lipinski's Rule of Five, 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic 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-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The CAS number of 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid is 331-61-3.
What is the molecular formula of 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The molecular formula of 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid is C13H14N2O3.
What is the molecular weight of 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The molecular weight of 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid is 246.10 g/mol.
Where can I buy 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
You can request a quote for 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.