2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
TL;DR: 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 514183-40-5) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid
Also Known As: BAS 06491136, 2-((1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid, AP-906/41650572, 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)sulfanyl]pyridine-3-carboxylic acid, F1412-0027
| Molecular Formula | C16H18N2O4S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 2.3321 |
| Topological Polar Surface Area | 87.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.09872 |
| Heavy Atoms | 23 |
| Complexity | 642.72235 |
Chemical Identifiers
| CAS Number | 514183-40-5 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O |
Product Overview
2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 514183-40-5), with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol. IUPAC: 2-(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
Property Insights of 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
The XLogP value of 2.3321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid. The TPSA of 87.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid. Following Lipinski's Rule of Five, 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid has 1 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-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The CAS number of 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 514183-40-5.
What is the molecular formula of 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular formula of 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is C16H18N2O4S.
What is the molecular weight of 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular weight of 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 334.10 g/mol.
Where can I buy 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
You can request a quote for 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.