RefChem:216928
TL;DR: RefChem:216928 (CAS 84249-79-6) is a chemical compound with molecular formula C16H16N4OS and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,5-dimethylanilino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 3-(((3,5-dimethylphenyl)amino)methyl)-5-(4-pyridinyl)-, 3-(((3,5-Dimethylphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione, 3-[(3,5-dimethylanilino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione, 3-[(3,5-Dimethylanilino)methyl]-5-(pyridin-4-yl)-1,3,4-oxadiazole-2(3H)-thione, RefChem:216928
| Molecular Formula | C16H16N4OS |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 3.95403 |
| Topological Polar Surface Area | 55.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.1045 |
| Heavy Atoms | 22 |
| Complexity | 818.6022 |
Chemical Identifiers
| CAS Number | 84249-79-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NCN2C(=S)OC(=N2)C3=CC=NC=C3)C |
Product Overview
RefChem:216928 (CAS 84249-79-6), with molecular formula C16H16N4OS and molecular weight 312.10 g/mol. IUPAC: 3-[(3,5-dimethylanilino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of RefChem:216928
Property Insights of RefChem:216928
The XLogP value of 3.95403 indicates that RefChem:216928 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:216928 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:216928 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:216928?
The CAS number of RefChem:216928 is 84249-79-6.
What is the molecular formula of RefChem:216928?
The molecular formula of RefChem:216928 is C16H16N4OS.
What is the molecular weight of RefChem:216928?
The molecular weight of RefChem:216928 is 312.10 g/mol.
Where can I buy RefChem:216928?
You can request a quote for RefChem:216928 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:216928?
Yes, KEHONG BIO provides custom synthesis services for RefChem:216928 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.