RefChem:216938
TL;DR: RefChem:216938 (CAS 96546-98-4) is a chemical compound with molecular formula C20H25N5O2S and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(piperidin-1-ylmethyl)-5-[(2-propylquinazolin-4-yl)oxymethyl]-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 3-(1-piperidinylmethyl)-5-(((2-propyl-4-quinazolinyl)oxy)methyl)-, 3-(1-Piperidinylmethyl)-5-(((2-propyl-4-quinazolinyl)oxy)methyl)-1,3,4-oxadiazole-2(3H)-thione, 3-(piperidin-1-ylmethyl)-5-[(2-propylquinazolin-4-yl)oxymethyl]-1,3,4-oxadiazole-2-thione, 3-[(Piperidin-1-yl)methyl]-5-{[(2-propylquinazolin-4-yl)oxy]methyl}-1,3,4-oxadiazole-2(3H)-thione, BRN 5651922
| Molecular Formula | C20H25N5O2S |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.17288 |
| Heavy Atoms | 28 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 96546-98-4 |
|---|---|
| SMILES | CCCC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCCCC4 |
| InChIKey | PJDRGJBWUANDBU-UHFFFAOYSA-N |
Product Overview
RefChem:216938 (CAS 96546-98-4), with molecular formula C20H25N5O2S and molecular weight 399.17 g/mol. IUPAC: 3-(piperidin-1-ylmethyl)-5-[(2-propylquinazolin-4-yl)oxymethyl]-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of RefChem:216938
Property Insights of RefChem:216938
The XLogP value of 4.4 indicates that RefChem:216938 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:216938. Following Lipinski's Rule of Five, RefChem:216938 has 0 hydrogen bond donor(s) and 7 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:216938?
The CAS number of RefChem:216938 is 96546-98-4.
What is the molecular formula of RefChem:216938?
The molecular formula of RefChem:216938 is C20H25N5O2S.
What is the molecular weight of RefChem:216938?
The molecular weight of RefChem:216938 is 399.17 g/mol.
Where can I buy RefChem:216938?
You can request a quote for RefChem:216938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:216938?
Yes, KEHONG BIO provides custom synthesis services for RefChem:216938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.