RefChem:216954
TL;DR: RefChem:216954 (CAS 84249-80-9) is a chemical compound with molecular formula C17H18N4OS and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pyridin-4-yl-3-[(2,4,6-trimethylanilino)methyl]-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-oxadiazole-2 -thione,5-3-(( -, 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-pyridinyl)-3-(((2,4,6-trimethylphenyl)amino)methyl)-, 1,3,4-Oxadiazole-2 -thione,5- -3-(( -, 5-(4-Pyridinyl)-3-(((2,4,6-trimethylphenyl)amino)methyl)-1,3,4-oxadiazole-2(3H)-thione, 5-(Pyridin-4-yl)-3-[(2,4,6-trimethylanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione
| Molecular Formula | C17H18N4OS |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 4.26245 |
| Topological Polar Surface Area | 55.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.12012 |
| Heavy Atoms | 23 |
| Complexity | 860.1042 |
Chemical Identifiers
| CAS Number | 84249-80-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NCN2C(=S)OC(=N2)C3=CC=NC=C3)C |
Product Overview
RefChem:216954 (CAS 84249-80-9), with molecular formula C17H18N4OS and molecular weight 326.12 g/mol. IUPAC: 5-pyridin-4-yl-3-[(2,4,6-trimethylanilino)methyl]-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of RefChem:216954
Property Insights of RefChem:216954
The XLogP value of 4.26245 indicates that RefChem:216954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.88 Ų, RefChem:216954 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:216954 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:216954?
The CAS number of RefChem:216954 is 84249-80-9.
What is the molecular formula of RefChem:216954?
The molecular formula of RefChem:216954 is C17H18N4OS.
What is the molecular weight of RefChem:216954?
The molecular weight of RefChem:216954 is 326.12 g/mol.
Where can I buy RefChem:216954?
You can request a quote for RefChem:216954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:216954?
Yes, KEHONG BIO provides custom synthesis services for RefChem:216954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.