2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate
TL;DR: 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate (CAS 452299-55-7) is a chemical compound with molecular formula C11H11NO4S and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxooxolan-3-yl) 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0007878, 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate, (2-oxooxolan-3-yl) 2-methylsulfanylpyridine-3-carboxylate, 2-oxooxolan-3-yl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C11H11NO4S |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 1.2758 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.04088 |
| Heavy Atoms | 17 |
| Complexity | 448.8525 |
Chemical Identifiers
| CAS Number | 452299-55-7 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OC2CCOC2=O |
Product Overview
2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate (CAS 452299-55-7), with molecular formula C11H11NO4S and molecular weight 253.04 g/mol. IUPAC: (2-oxooxolan-3-yl) 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate
Property Insights of 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate
The XLogP value of 1.2758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate 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
Frequently Asked Questions
What is the CAS number of 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate?
The CAS number of 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate is 452299-55-7.
What is the molecular formula of 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate?
The molecular formula of 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate is C11H11NO4S.
What is the molecular weight of 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate?
The molecular weight of 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate is 253.04 g/mol.
Where can I buy 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate?
You can request a quote for 2-Oxotetrahydrofuran-3-yl 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-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxotetrahydrofuran-3-yl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.