4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline
TL;DR: 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline (CAS 5458-33-3) is a chemical compound with molecular formula C14H11N3O and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
Also Known As: 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline, 4- ANILINE, 3-Phenyl-5-p-aminophenyl-1,2,4-oxadiazol, Benzenamine, 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-, W-6873
| Molecular Formula | C14H11N3O |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.09021 |
| Heavy Atoms | 18 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 5458-33-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=C(C=C3)N |
| InChIKey | GUPGUFMJVVCPCZ-UHFFFAOYSA-N |
Product Overview
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline (CAS 5458-33-3), with molecular formula C14H11N3O and molecular weight 237.09 g/mol. IUPAC: 4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline.
Chemical Property Profile of 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline
Property Insights of 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline. Following Lipinski's Rule of Five, 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline 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-Phenyl-1,2,4-oxadiazol-5-yl)aniline?
The CAS number of 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline is 5458-33-3.
What is the molecular formula of 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline?
The molecular formula of 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline is C14H11N3O.
What is the molecular weight of 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline?
The molecular weight of 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline is 237.09 g/mol.
Where can I buy 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline?
You can request a quote for 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.