RefChem:1052524
TL;DR: RefChem:1052524 (CAS 81963-87-3) is a chemical compound with molecular formula C14H15Br2N3O2S and molecular weight 446.93 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-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-oxadiazole-2 -thione,5-3-, 1,3,4-Oxadiazole-2 -thione,5- -3- -, 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(1-piperidinylmethyl)-, 5-(3,5-Dibromo-2-hydroxyphenyl)-3-(1-piperidinylmethyl)-1,3,4-oxadiazole-2(3H)-thione, (6E)-2,4-dibromo-6-[4-(piperidin-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C14H15Br2N3O2S |
|---|---|
| Molecular Weight | 446.93 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.92313 |
| Heavy Atoms | 22 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 81963-87-3 |
|---|---|
| SMILES | C1CCN(CC1)CN2C(=S)OC(=N2)C3=C(C(=CC(=C3)Br)Br)O |
| InChIKey | DSOCHZJNXKUWEH-UHFFFAOYSA-N |
Product Overview
RefChem:1052524 (CAS 81963-87-3), with molecular formula C14H15Br2N3O2S and molecular weight 446.93 g/mol. IUPAC: 5-(3,5-dibromo-2-hydroxyphenyl)-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of RefChem:1052524
Property Insights of RefChem:1052524
The XLogP value of 4.2 indicates that RefChem:1052524 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052524. Following Lipinski's Rule of Five, RefChem:1052524 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1052524?
The CAS number of RefChem:1052524 is 81963-87-3.
What is the molecular formula of RefChem:1052524?
The molecular formula of RefChem:1052524 is C14H15Br2N3O2S.
What is the molecular weight of RefChem:1052524?
The molecular weight of RefChem:1052524 is 446.93 g/mol.
Where can I buy RefChem:1052524?
You can request a quote for RefChem:1052524 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052524?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052524 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.