RefChem:1052517
TL;DR: RefChem:1052517 (CAS 81963-86-2) is a chemical compound with molecular formula C17H15Br2N3O3S and molecular weight 498.92 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-ethoxyanilino)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-ethoxyphenyl)amino)methyl)-, (6E)-2,4-dibromo-6-[4-[(4-ethoxyanilino)methyl]-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one, RefChem:1052517, BRN 4583371
| Molecular Formula | C17H15Br2N3O3S |
|---|---|
| Molecular Weight | 498.92 g/mol |
| LogP | 5.57149 |
| Topological Polar Surface Area | 72.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.9201 |
| Heavy Atoms | 26 |
| Complexity | 970.3747 |
Chemical Identifiers
| CAS Number | 81963-86-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=C(C(=CC(=C3)Br)Br)O |
Product Overview
RefChem:1052517 (CAS 81963-86-2), with molecular formula C17H15Br2N3O3S and molecular weight 498.92 g/mol. IUPAC: 5-(3,5-dibromo-2-hydroxyphenyl)-3-[(4-ethoxyanilino)methyl]-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of RefChem:1052517
Property Insights of RefChem:1052517
The XLogP value of 5.57149 indicates that RefChem:1052517 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.45 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052517. Following Lipinski's Rule of Five, RefChem:1052517 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1052517?
The CAS number of RefChem:1052517 is 81963-86-2.
What is the molecular formula of RefChem:1052517?
The molecular formula of RefChem:1052517 is C17H15Br2N3O3S.
What is the molecular weight of RefChem:1052517?
The molecular weight of RefChem:1052517 is 498.92 g/mol.
Where can I buy RefChem:1052517?
You can request a quote for RefChem:1052517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052517?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.