![4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid structure](/static/products/2181/218144-71-9.webp)
4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
TL;DR: 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CAS 218144-71-9) is a chemical compound with molecular formula C12H11N3O5 and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
Also Known As: Ligand 1, 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID, 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-butanoic acid, 4-(3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)butanoic acid, BTO
| Molecular Formula | C12H11N3O5 |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 2.0521 |
| Topological Polar Surface Area | 119.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.0699 |
| Heavy Atoms | 20 |
| Complexity | 637.52795 |
Chemical Identifiers
| CAS Number | 218144-71-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)CCCC(=O)O |
Product Overview
4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CAS 218144-71-9), with molecular formula C12H11N3O5 and molecular weight 277.07 g/mol. IUPAC: 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid.
Chemical Property Profile of 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
Property Insights of 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
The XLogP value of 2.0521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid. The TPSA of 119.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid. Following Lipinski's Rule of Five, 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid has 1 hydrogen bond donor(s) and 6 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-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The CAS number of 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid is 218144-71-9.
What is the molecular formula of 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The molecular formula of 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid is C12H11N3O5.
What is the molecular weight of 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The molecular weight of 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid is 277.07 g/mol.
Where can I buy 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
You can request a quote for 4-[3-(3-Nitrophenyl)-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-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.