3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione
TL;DR: 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 84249-87-6) is a chemical compound with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyanilino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione
Also Known As: 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione, 1,3,4-Oxadiazole-2(3H)-thione, 3-(((4-methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-, 1,3,4-Oxadiazole-2 -thione,3-(( -5- -, [2-hydroxy-3-(2-hydroxyethylamino)propyl] dodecanoate, 3-[(4-methoxyanilino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione
| Molecular Formula | C15H14N4O2S |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 3.34579 |
| Topological Polar Surface Area | 65.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.08374 |
| Heavy Atoms | 22 |
| Complexity | 796.4147 |
Chemical Identifiers
| CAS Number | 84249-87-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=NC=C3 |
Product Overview
3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 84249-87-6), with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol. IUPAC: 3-[(4-methoxyanilino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione
Property Insights of 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione
The XLogP value of 3.34579 indicates that 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione. Following Lipinski's Rule of Five, 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione has 1 hydrogen bond donor(s) and 6 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 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione?
The CAS number of 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione is 84249-87-6.
What is the molecular formula of 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular formula of 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione is C15H14N4O2S.
What is the molecular weight of 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular weight of 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione is 314.08 g/mol.
Where can I buy 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione?
You can request a quote for 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(((4-Methoxyphenyl)amino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.