1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)-
TL;DR: 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)- (CAS 81963-91-9) is a chemical compound with molecular formula C17H15Br2N3O2S and molecular weight 482.93 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-[(N-ethylanilino)methyl]-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)-, 5-(3,5-Dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)-1,3,4-oxadiazole-2(3H)-thione, (6E)-2,4-dibromo-6-[4-[(N-ethylanilino)methyl]-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one, RefChem:1052521, BRN 4582891
| Molecular Formula | C17H15Br2N3O2S |
|---|---|
| Molecular Weight | 482.93 g/mol |
| LogP | 5.58719 |
| Topological Polar Surface Area | 54.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.92517 |
| Heavy Atoms | 25 |
| Complexity | 940.81116 |
Chemical Identifiers
| CAS Number | 81963-91-9 |
|---|---|
| SMILES | CCN(CN1C(=S)OC(=N1)C2=C(C(=CC(=C2)Br)Br)O)C3=CC=CC=C3 |
Product Overview
1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)- (CAS 81963-91-9), with molecular formula C17H15Br2N3O2S and molecular weight 482.93 g/mol. IUPAC: 5-(3,5-dibromo-2-hydroxyphenyl)-3-[(N-ethylanilino)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-((ethylphenylamino)methyl)-
Property Insights of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)-
The XLogP value of 5.58719 indicates that 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.43 Ų, 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)- has 1 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-((ethylphenylamino)methyl)-?
The CAS number of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)- is 81963-91-9.
What is the molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)-?
The molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)- is C17H15Br2N3O2S.
What is the molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)-?
The molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)- is 482.93 g/mol.
Where can I buy 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)-?
You can request a quote for 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)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-((ethylphenylamino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-((ethylphenylamino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.