4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline
TL;DR: 4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline (CAS 100933-82-2) is a chemical compound with molecular formula C12H15N3O and molecular weight 217.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-butyl-1,3,4-oxadiazol-2-yl)aniline
Also Known As: 4-(5-butyl-1,3,4-oxadiazol-2-yl)aniline, butyloxadiazolylphenylamine, 4-(5-Butyl-1,3,4-oxadiazol-2-yl)phenylamine, Benzenamine, 4-(5-butyl-1,3,4-oxadiazol-2-yl)-, 2-butyl-5-(p-aminophenyl)-1,3,4-oxadiazole
| Molecular Formula | C12H15N3O |
|---|---|
| Molecular Weight | 217.12 g/mol |
| LogP | 2.6614 |
| Topological Polar Surface Area | 64.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.1215 |
| Heavy Atoms | 16 |
| Complexity | 447.54236 |
Chemical Identifiers
| CAS Number | 100933-82-2 |
|---|---|
| SMILES | CCCCC1=NN=C(O1)C2=CC=C(C=C2)N |
Product Overview
4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline (CAS 100933-82-2), with molecular formula C12H15N3O and molecular weight 217.12 g/mol. IUPAC: 4-(5-butyl-1,3,4-oxadiazol-2-yl)aniline.
Chemical Property Profile of 4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline
Property Insights of 4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline
The XLogP value of 2.6614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline. The TPSA of 64.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline. Following Lipinski's Rule of Five, 4-(5-Butyl-1,3,4-oxadiazol-2-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-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline?
The CAS number of 4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline is 100933-82-2.
What is the molecular formula of 4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline?
The molecular formula of 4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline is C12H15N3O.
What is the molecular weight of 4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline?
The molecular weight of 4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline is 217.12 g/mol.
Where can I buy 4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline?
You can request a quote for 4-(5-Butyl-1,3,4-oxadiazol-2-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-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.