![5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione structure](/static/products/3117/311794-95-3.webp)
5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione
TL;DR: 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione (CAS 311794-95-3) is a chemical compound with molecular formula C19H19Cl2N3OS and molecular weight 407.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2-thione
Also Known As: 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione, A1558/0067881, 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2-thione, 5-(4-(tert-butyl)phenyl)-3-(((3,4-dichlorophenyl)amino)methyl)-1,3,4-oxadiazole-2(3H)-thione, 5-(4-tert-butylphenyl)-3-{[(3,4-dichlorophenyl)amino]methyl}-1,3,4-oxadiazole-2(3H)-thione
| Molecular Formula | C19H19Cl2N3OS |
|---|---|
| Molecular Weight | 407.06 g/mol |
| LogP | 6.54649 |
| Topological Polar Surface Area | 42.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.0626 |
| Heavy Atoms | 26 |
| Complexity | 971.6847 |
Chemical Identifiers
| CAS Number | 311794-95-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)O2)CNC3=CC(=C(C=C3)Cl)Cl |
Product Overview
5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione (CAS 311794-95-3), with molecular formula C19H19Cl2N3OS and molecular weight 407.06 g/mol. IUPAC: 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione
Property Insights of 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione
The XLogP value of 6.54649 indicates that 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-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, 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-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 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione?
The CAS number of 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione is 311794-95-3.
What is the molecular formula of 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione?
The molecular formula of 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione is C19H19Cl2N3OS.
What is the molecular weight of 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione?
The molecular weight of 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione is 407.06 g/mol.
Where can I buy 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione?
You can request a quote for 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-tert-butylphenyl)-3-[(3,4-dichloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.