5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione
TL;DR: 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione (CAS 331758-87-3) is a chemical compound with molecular formula C17H23N3O2S and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione
Also Known As: BAS 00583702, 5-(4-tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione, A1472/0064949, 5-(4-(tert-butyl)phenyl)-3-(morpholinomethyl)-1,3,4-oxadiazole-2(3H)-thione, 5-(4-tert-Butyl-phenyl)-3-morpholin-4-ylmethyl-3H-[1,3,4]oxadiazole-2-thione
| Molecular Formula | C17H23N3O2S |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 3.45979 |
| Topological Polar Surface Area | 43.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.1511 |
| Heavy Atoms | 23 |
| Complexity | 706.6751 |
Chemical Identifiers
| CAS Number | 331758-87-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCOCC3 |
Product Overview
5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione (CAS 331758-87-3), with molecular formula C17H23N3O2S and molecular weight 333.15 g/mol. IUPAC: 5-(4-tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione
Property Insights of 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione
The XLogP value of 3.45979 indicates that 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.43 Ų, 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione has 0 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 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione?
The CAS number of 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione is 331758-87-3.
What is the molecular formula of 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione?
The molecular formula of 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione is C17H23N3O2S.
What is the molecular weight of 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione?
The molecular weight of 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione is 333.15 g/mol.
Where can I buy 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione?
You can request a quote for 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Tert-butylphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.