RefChem:216929
TL;DR: RefChem:216929 (CAS 84249-81-0) is a chemical compound with molecular formula C14H11ClN4OS and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloroanilino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 3-(((4-chlorophenyl)amino)methyl)-5-(4-pyridinyl)-, 3-(((4-Chlorophenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione, 3-[(4-chloroanilino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione, 3-[(4-Chloroanilino)methyl]-5-(pyridin-4-yl)-1,3,4-oxadiazole-2(3H)-thione, RefChem:216929
| Molecular Formula | C14H11ClN4OS |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 3.99059 |
| Topological Polar Surface Area | 55.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.0342 |
| Heavy Atoms | 21 |
| Complexity | 782.73865 |
Chemical Identifiers
| CAS Number | 84249-81-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NCN2C(=S)OC(=N2)C3=CC=NC=C3)Cl |
Product Overview
RefChem:216929 (CAS 84249-81-0), with molecular formula C14H11ClN4OS and molecular weight 318.03 g/mol. IUPAC: 3-[(4-chloroanilino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of RefChem:216929
Property Insights of RefChem:216929
The XLogP value of 3.99059 indicates that RefChem:216929 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:216929 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:216929 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:216929?
The CAS number of RefChem:216929 is 84249-81-0.
What is the molecular formula of RefChem:216929?
The molecular formula of RefChem:216929 is C14H11ClN4OS.
What is the molecular weight of RefChem:216929?
The molecular weight of RefChem:216929 is 318.03 g/mol.
Where can I buy RefChem:216929?
You can request a quote for RefChem:216929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:216929?
Yes, KEHONG BIO provides custom synthesis services for RefChem:216929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.