1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)-
TL;DR: 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)- (CAS 81963-81-7) is a chemical compound with molecular formula C16H13Br2N3O2S and molecular weight 468.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,5-dibromo-2-hydroxyphenyl)-3-[(4-methylanilino)methyl]-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)-, (6E)-2,4-dibromo-6-[4-[(4-methylanilino)methyl]-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one, RefChem:1052519, BRN 4568252
| Molecular Formula | C16H13Br2N3O2S |
|---|---|
| Molecular Weight | 468.91 g/mol |
| LogP | 5.48121 |
| Topological Polar Surface Area | 63.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.90952 |
| Heavy Atoms | 24 |
| Complexity | 935.48584 |
Chemical Identifiers
| CAS Number | 81963-81-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=C(C(=CC(=C3)Br)Br)O |
Product Overview
1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)- (CAS 81963-81-7), with molecular formula C16H13Br2N3O2S and molecular weight 468.91 g/mol. IUPAC: 5-(3,5-dibromo-2-hydroxyphenyl)-3-[(4-methylanilino)methyl]-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)-
Property Insights of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)-
The XLogP value of 5.48121 indicates that 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)-?
The CAS number of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)- is 81963-81-7.
What is the molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)-?
The molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)- is C16H13Br2N3O2S.
What is the molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)-?
The molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)- is 468.91 g/mol.
Where can I buy 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)-?
You can request a quote for 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((4-methylphenyl)amino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.