![3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione structure](/static/products/3280/328090-64-8.webp)
3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione
TL;DR: 3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione (CAS 328090-64-8) is a chemical compound with molecular formula C16H14BrN3OS and molecular weight 375.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione
Also Known As: A1713/0073022, 3-[(2-bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione, 3-(((2-bromophenyl)amino)methyl)-5-(p-tolyl)-1,3,4-oxadiazole-2(3H)-thione, 3-[(2-bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2(3H)-thione, 3-{[(2-bromophenyl)amino]methyl}-5-(4-methylphenyl)-1,3,4-oxadiazole-2(3H)-thione
| Molecular Formula | C16H14BrN3OS |
|---|---|
| Molecular Weight | 375.00 g/mol |
| LogP | 5.01311 |
| Topological Polar Surface Area | 42.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.0041 |
| Heavy Atoms | 22 |
| Complexity | 839.0973 |
Chemical Identifiers
| CAS Number | 328090-64-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(=S)O2)CNC3=CC=CC=C3Br |
Product Overview
3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione (CAS 328090-64-8), with molecular formula C16H14BrN3OS and molecular weight 375.00 g/mol. IUPAC: 3-[(2-bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione
Property Insights of 3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione
The XLogP value of 5.01311 indicates that 3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-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-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-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-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione?
The CAS number of 3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione is 328090-64-8.
What is the molecular formula of 3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione?
The molecular formula of 3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione is C16H14BrN3OS.
What is the molecular weight of 3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione?
The molecular weight of 3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione is 375.00 g/mol.
Where can I buy 3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione?
You can request a quote for 3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-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-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Bromoanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.