RefChem:216941
TL;DR: RefChem:216941 (CAS 96546-96-2) is a chemical compound with molecular formula C25H28N6O2S and molecular weight 476.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 5-(((2-ethyl-4-quinazolinyl)oxy)methyl)-3-((4-(4-methylphenyl)-1-piperazinyl)methyl)-, 5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione, 5-{[(2-ethylquinazolin-4-yl)oxy]methyl}-3-{[4-(4-methylphenyl)piperazin-1-yl]methyl}-1,3,4-oxadiazole-2(3H)-thione, BRN 5674405, RefChem:216941
| Molecular Formula | C25H28N6O2S |
|---|---|
| Molecular Weight | 476.20 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.19943 |
| Heavy Atoms | 34 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 96546-96-2 |
|---|---|
| SMILES | CCC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCN(CC4)C5=CC=C(C=C5)C |
| InChIKey | BSURCHUTWLVWTA-UHFFFAOYSA-N |
Product Overview
RefChem:216941 (CAS 96546-96-2), with molecular formula C25H28N6O2S and molecular weight 476.20 g/mol. IUPAC: 5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of RefChem:216941
Property Insights of RefChem:216941
The XLogP value of 5.1 indicates that RefChem:216941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:216941. Following Lipinski's Rule of Five, RefChem:216941 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:216941?
The CAS number of RefChem:216941 is 96546-96-2.
What is the molecular formula of RefChem:216941?
The molecular formula of RefChem:216941 is C25H28N6O2S.
What is the molecular weight of RefChem:216941?
The molecular weight of RefChem:216941 is 476.20 g/mol.
Where can I buy RefChem:216941?
You can request a quote for RefChem:216941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:216941?
Yes, KEHONG BIO provides custom synthesis services for RefChem:216941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.