2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid
TL;DR: 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid (CAS 565191-45-9) is a chemical compound with molecular formula C17H19NO4S and molecular weight 333.10 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)sulfanylbenzoic acid
Also Known As: IFLab1_005779, IDI1_011182, BAS 06491131, 2-(1-cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid, 2-((1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 2.9371 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 639.2355 |
Chemical Identifiers
| CAS Number | 565191-45-9 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O |
Product Overview
2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid (CAS 565191-45-9), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: 2-(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)sulfanylbenzoic acid.
Chemical Property Profile of 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid
Property Insights of 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid
The XLogP value of 2.9371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid. Following Lipinski's Rule of Five, 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid has 1 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-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid?
The CAS number of 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid is 565191-45-9.
What is the molecular formula of 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid?
The molecular formula of 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid is C17H19NO4S.
What is the molecular weight of 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid?
The molecular weight of 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid is 333.10 g/mol.
Where can I buy 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid?
You can request a quote for 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic 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-dioxoazolidin-3-ylthio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Cyclohexyl-2,5-dioxoazolidin-3-ylthio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.