2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate
TL;DR: 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate (CAS 571163-75-2) is a chemical compound with molecular formula C22H17NO3S and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0006230, 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate, [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate, 2-(9H-fluoren-3-yl)-2-oxoethyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C22H17NO3S |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 4.4144 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.09293 |
| Heavy Atoms | 27 |
| Complexity | 1045.2328 |
Chemical Identifiers
| CAS Number | 571163-75-2 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC3=C(CC4=CC=CC=C43)C=C2 |
Product Overview
2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate (CAS 571163-75-2), with molecular formula C22H17NO3S and molecular weight 375.09 g/mol. IUPAC: [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate
Property Insights of 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate
The XLogP value of 4.4144 indicates that 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate has 0 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 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate?
The CAS number of 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate is 571163-75-2.
What is the molecular formula of 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular formula of 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate is C22H17NO3S.
What is the molecular weight of 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular weight of 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate is 375.09 g/mol.
Where can I buy 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate?
You can request a quote for 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(9H-Fluoren-3-yl)-2-oxoethyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.