2-((Diphenylmethyl)thio)ethyl nicotinate
TL;DR: 2-((Diphenylmethyl)thio)ethyl nicotinate (CAS 101952-60-7) is a chemical compound with molecular formula C21H19NO2S and molecular weight 349.11365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzhydrylsulfanylethyl pyridine-3-carboxylate
Also Known As: 2-((Diphenylmethyl)thio)ethyl nicotinate, 2-[(Diphenylmethyl)thio]ethyl=nicotinate, 2-benzhydrylsulfanylethyl pyridine-3-carboxylate, NICOTINIC ACID, 2-((DIPHENYLMETHYL)THIO)ETHYL ESTER, 4-22-00-00372 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C21H19NO2S |
| Molecular Weight | 349.11365 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 349.11365 Da |
| Heavy Atoms | 25 |
| Complexity | 373.0 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)SCCOC(=O)C3=CN=CC=C3 |
| InChIKey | GWKVFEMBJSLBIQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-((Diphenylmethyl)thio)ethyl nicotinate
Property Insights of 2-((Diphenylmethyl)thio)ethyl nicotinate
The XLogP value of 4.8 indicates that 2-((Diphenylmethyl)thio)ethyl nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Diphenylmethyl)thio)ethyl nicotinate. Following Lipinski's Rule of Five, 2-((Diphenylmethyl)thio)ethyl nicotinate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((Diphenylmethyl)thio)ethyl nicotinate?
The CAS number of 2-((Diphenylmethyl)thio)ethyl nicotinate is 101952-60-7.
What is the molecular formula of 2-((Diphenylmethyl)thio)ethyl nicotinate?
The molecular formula of 2-((Diphenylmethyl)thio)ethyl nicotinate is C21H19NO2S.
What is the molecular weight of 2-((Diphenylmethyl)thio)ethyl nicotinate?
The molecular weight of 2-((Diphenylmethyl)thio)ethyl nicotinate is 349.11365 g/mol.
Where can I buy 2-((Diphenylmethyl)thio)ethyl nicotinate?
You can request a quote for 2-((Diphenylmethyl)thio)ethyl nicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((Diphenylmethyl)thio)ethyl nicotinate?
Yes, CoreyChem provides custom synthesis services for 2-((Diphenylmethyl)thio)ethyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.