![3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione structure](/static/products/3763/376385-69-2.webp)
3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione
TL;DR: 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione (CAS 376385-69-2) is a chemical compound with molecular formula C19H20BrN3OS and molecular weight 417.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione
Also Known As: 3-[(4-bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione, 3-{[(4-bromophenyl)amino]methyl}-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2(3H)-thione, 3-(((4-bromophenyl)amino)methyl)-5-(4-(tert-butyl)phenyl)-1,3,4-oxadiazole-2(3H)-thione
| Molecular Formula | C19H20BrN3OS |
|---|---|
| Molecular Weight | 417.05 g/mol |
| LogP | 6.00219 |
| Topological Polar Surface Area | 42.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.05106 |
| Heavy Atoms | 25 |
| Complexity | 905.5825 |
Chemical Identifiers
| CAS Number | 376385-69-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)O2)CNC3=CC=C(C=C3)Br |
Product Overview
3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione (CAS 376385-69-2), with molecular formula C19H20BrN3OS and molecular weight 417.05 g/mol. IUPAC: 3-[(4-bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione
Property Insights of 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione
The XLogP value of 6.00219 indicates that 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.99 Ų, 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione?
The CAS number of 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione is 376385-69-2.
What is the molecular formula of 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione?
The molecular formula of 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione is C19H20BrN3OS.
What is the molecular weight of 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione?
The molecular weight of 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione is 417.05 g/mol.
Where can I buy 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione?
You can request a quote for 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.