2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate
TL;DR: 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate (CAS 792960-98-6) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0004213, 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate, [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate, 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 2.99074 |
| Topological Polar Surface Area | 89.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 810.91705 |
Chemical Identifiers
| CAS Number | 792960-98-6 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate (CAS 792960-98-6), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate
Property Insights of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate
The XLogP value of 2.99074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate. The TPSA of 89.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate has 1 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-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate?
The CAS number of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate is 792960-98-6.
What is the molecular formula of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular formula of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate is C17H18N2O4S.
What is the molecular weight of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular weight of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate is 346.10 g/mol.
Where can I buy 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate?
You can request a quote for 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-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-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.