![2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid structure](/static/products/7218/721887-05-4.webp)
2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
TL;DR: 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (CAS 721887-05-4) is a chemical compound with molecular formula C16H22N2O3S and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
Also Known As: 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid, 2-(cyclooctylcarbamoylmethylsulfanyl)pyridine-3-carboxylic Acid, 2-{[2-(Cyclooctylamino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
| Molecular Formula | C16H22N2O3S |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 3.101 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.1351 |
| Heavy Atoms | 22 |
| Complexity | 513.8673 |
Chemical Identifiers
| CAS Number | 721887-05-4 |
|---|---|
| SMILES | C1CCCC(CCC1)NC(=O)CSC2=C(C=CC=N2)C(=O)O |
Product Overview
2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (CAS 721887-05-4), with molecular formula C16H22N2O3S and molecular weight 322.14 g/mol. IUPAC: 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
Property Insights of 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
The XLogP value of 3.101 indicates that 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid has 2 hydrogen bond donor(s) and 4 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-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The CAS number of 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is 721887-05-4.
What is the molecular formula of 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The molecular formula of 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is C16H22N2O3S.
What is the molecular weight of 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The molecular weight of 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is 322.14 g/mol.
Where can I buy 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
You can request a quote for 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.