3-(2'-Pyridyldithio)benzyldiazoacetate
TL;DR: 3-(2'-Pyridyldithio)benzyldiazoacetate (CAS 117141-31-8) is a chemical compound with molecular formula C14H11N3O2S2 and molecular weight 317.02927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(pyridin-2-yldisulfanyl)phenyl]methyl 2-diazoacetate
Also Known As: MPDA, 3-(2'-Pyridyldithio)benzyldiazoacetate, m-(2'-Pyridyldithio)benzyldiazoacetate, [3-(PYRIDIN-2-YLDISULFANYL)PHENYL]METHYL 2-DIAZOACETATE, (E)-2-diazonio-1-[[3-(pyridin-2-yldisulfanyl)phenyl]methoxy]ethenolate
Technical Specifications
| Molecular Formula | C14H11N3O2S2 |
| Molecular Weight | 317.02927 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 91.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.02927 Da |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
| SMILES | C1=CC=NC(=C1)SSC2=CC=CC(=C2)COC(=O)C=[N+]=[N-] |
| InChIKey | GTIBIXIJABCLPL-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2'-Pyridyldithio)benzyldiazoacetate
Property Insights of 3-(2'-Pyridyldithio)benzyldiazoacetate
The XLogP value of 3.2 indicates that 3-(2'-Pyridyldithio)benzyldiazoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2'-Pyridyldithio)benzyldiazoacetate. Following Lipinski's Rule of Five, 3-(2'-Pyridyldithio)benzyldiazoacetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2'-Pyridyldithio)benzyldiazoacetate?
The CAS number of 3-(2'-Pyridyldithio)benzyldiazoacetate is 117141-31-8.
What is the molecular formula of 3-(2'-Pyridyldithio)benzyldiazoacetate?
The molecular formula of 3-(2'-Pyridyldithio)benzyldiazoacetate is C14H11N3O2S2.
What is the molecular weight of 3-(2'-Pyridyldithio)benzyldiazoacetate?
The molecular weight of 3-(2'-Pyridyldithio)benzyldiazoacetate is 317.02927 g/mol.
Where can I buy 3-(2'-Pyridyldithio)benzyldiazoacetate?
You can request a quote for 3-(2'-Pyridyldithio)benzyldiazoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2'-Pyridyldithio)benzyldiazoacetate?
Yes, CoreyChem provides custom synthesis services for 3-(2'-Pyridyldithio)benzyldiazoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.