3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole
TL;DR: 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole (CAS 313666-30-7) is a chemical compound with molecular formula C22H26N2O and molecular weight 334.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole
Also Known As: 3-benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole, BAS 00386921, 3-Benzyl-5-(4-heptyl-phenyl)-[1,2,4]oxadiazole
| Molecular Formula | C22H26N2O |
|---|---|
| Molecular Weight | 334.20 g/mol |
| LogP | 5.8403 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 334.2045 |
| Heavy Atoms | 25 |
| Complexity | 747.2131 |
Chemical Identifiers
| CAS Number | 313666-30-7 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)C2=NC(=NO2)CC3=CC=CC=C3 |
Product Overview
3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole (CAS 313666-30-7), with molecular formula C22H26N2O and molecular weight 334.20 g/mol. IUPAC: 3-benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole
Property Insights of 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole
The XLogP value of 5.8403 indicates that 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole?
The CAS number of 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole is 313666-30-7.
What is the molecular formula of 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole?
The molecular formula of 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole is C22H26N2O.
What is the molecular weight of 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole?
The molecular weight of 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole is 334.20 g/mol.
Where can I buy 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole?
You can request a quote for 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-5-(4-heptylphenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.