RefChem:1052520
TL;DR: RefChem:1052520 (CAS 81963-88-4) is a chemical compound with molecular formula C16H19Br2N3O2S and molecular weight 474.96 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-ethylpiperidin-1-yl)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-ethyl-1-piperidinyl)methyl)-, (6E)-2,4-dibromo-6-[4-[(4-ethylpiperidin-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one, RefChem:1052520, BRN 4560257
| Molecular Formula | C16H19Br2N3O2S |
|---|---|
| Molecular Weight | 474.96 g/mol |
| LogP | 5.18269 |
| Topological Polar Surface Area | 54.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.95648 |
| Heavy Atoms | 24 |
| Complexity | 782.1151 |
Chemical Identifiers
| CAS Number | 81963-88-4 |
|---|---|
| SMILES | CCC1CCN(CC1)CN2C(=S)OC(=N2)C3=C(C(=CC(=C3)Br)Br)O |
Product Overview
RefChem:1052520 (CAS 81963-88-4), with molecular formula C16H19Br2N3O2S and molecular weight 474.96 g/mol. IUPAC: 5-(3,5-dibromo-2-hydroxyphenyl)-3-[(4-ethylpiperidin-1-yl)methyl]-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of RefChem:1052520
Property Insights of RefChem:1052520
The XLogP value of 5.18269 indicates that RefChem:1052520 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.43 Ų, RefChem:1052520 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1052520 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 RefChem:1052520?
The CAS number of RefChem:1052520 is 81963-88-4.
What is the molecular formula of RefChem:1052520?
The molecular formula of RefChem:1052520 is C16H19Br2N3O2S.
What is the molecular weight of RefChem:1052520?
The molecular weight of RefChem:1052520 is 474.96 g/mol.
Where can I buy RefChem:1052520?
You can request a quote for RefChem:1052520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052520?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.