![2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid structure](/static/products/5141/514183-36-9.webp)
2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid
TL;DR: 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid (CAS 514183-36-9) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-butyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid
Also Known As: AP-906/41650570, 2-[(1-butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid, 2-((1-butyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid, 2-[(1-butyl-2,5-dioxo-3-pyrrolidinyl)thio]nicotinic acid, 2-(1-butyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid
| Molecular Formula | C14H16N2O4S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 1.7995 |
| Topological Polar Surface Area | 87.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.08307 |
| Heavy Atoms | 21 |
| Complexity | 575.84735 |
Chemical Identifiers
| CAS Number | 514183-36-9 |
|---|---|
| SMILES | CCCCN1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)O |
Product Overview
2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid (CAS 514183-36-9), with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol. IUPAC: 2-(1-butyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid
Property Insights of 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid
The XLogP value of 1.7995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid. The TPSA of 87.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid. Following Lipinski's Rule of Five, 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]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-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid?
The CAS number of 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid is 514183-36-9.
What is the molecular formula of 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid?
The molecular formula of 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid is C14H16N2O4S.
What is the molecular weight of 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid?
The molecular weight of 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid is 308.08 g/mol.
Where can I buy 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid?
You can request a quote for 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]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-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-Butyl-2,5-dioxo-3-pyrrolidinyl)sulfanyl]nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.