1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)-
TL;DR: 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)- (CAS 85655-98-7) is a chemical compound with molecular formula C14H12N4OS and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(anilinomethyl)-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione
Also Known As: 6-Chrysenemethanol,1-hydroxy-11-methyl, 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)-, 3-((Phenylamino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thione, 3-(anilinomethyl)-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione, 3-((Phenylamino)methyl)-5-(pyridin-4-yl)-1,3,4-oxadiazole-2(3H)-thione
| Molecular Formula | C14H12N4OS |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.07318 |
| Heavy Atoms | 20 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 85655-98-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=NC=C3 |
| InChIKey | ILZNZLJXRVKFNZ-UHFFFAOYSA-N |
Product Overview
1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)- (CAS 85655-98-7), with molecular formula C14H12N4OS and molecular weight 284.07 g/mol. IUPAC: 3-(anilinomethyl)-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)-
Property Insights of 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)-. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)- 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 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)-?
The CAS number of 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)- is 85655-98-7.
What is the molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)-?
The molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)- is C14H12N4OS.
What is the molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)-?
The molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)- is 284.07 g/mol.
Where can I buy 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)-?
You can request a quote for 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.