3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
TL;DR: 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole (CAS 854541-92-7) is a chemical compound with molecular formula C12H12BrN3O and molecular weight 293.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
Also Known As: 3-(4-bromophenyl)-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole, 3-(4-bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
| Molecular Formula | C12H12BrN3O |
|---|---|
| Molecular Weight | 293.02 g/mol |
| LogP | 2.9236 |
| Topological Polar Surface Area | 50.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.01636 |
| Heavy Atoms | 17 |
| Complexity | 502.7242 |
Chemical Identifiers
| CAS Number | 854541-92-7 |
|---|---|
| SMILES | C1CC(NC1)C2=NC(=NO2)C3=CC=C(C=C3)Br |
Product Overview
3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole (CAS 854541-92-7), with molecular formula C12H12BrN3O and molecular weight 293.02 g/mol. IUPAC: 3-(4-bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole.
Chemical Property Profile of 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
Property Insights of 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
The XLogP value of 2.9236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole. With a topological polar surface area (TPSA) of 50.95 Ų, 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole 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 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The CAS number of 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole is 854541-92-7.
What is the molecular formula of 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The molecular formula of 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole is C12H12BrN3O.
What is the molecular weight of 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The molecular weight of 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole is 293.02 g/mol.
Where can I buy 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
You can request a quote for 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-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-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.