![2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid structure](/static/products/5141/514182-16-2.webp)
2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
TL;DR: 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid (CAS 514182-16-2) is a chemical compound with molecular formula C18H13NO6S and molecular weight 371.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
Also Known As: BAS 06976590, 2-((1-(benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid, 2-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid, 2-{[1-(2H-1,3-BENZODIOXOL-5-YL)-2,5-DIOXOPYRROLIDIN-3-YL]SULFANYL}BENZOIC ACID, 2-(1-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2,5-dioxoazolidin-3-ylthio)benzoic aci d
| Molecular Formula | C18H13NO6S |
|---|---|
| Molecular Weight | 371.05 g/mol |
| LogP | 2.5377 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.04636 |
| Heavy Atoms | 26 |
| Complexity | 927.6474 |
Chemical Identifiers
| CAS Number | 514182-16-2 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC3=C(C=C2)OCO3)SC4=CC=CC=C4C(=O)O |
Product Overview
2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid (CAS 514182-16-2), with molecular formula C18H13NO6S and molecular weight 371.05 g/mol. IUPAC: 2-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid.
Chemical Property Profile of 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
Property Insights of 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
The XLogP value of 2.5377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid. Following Lipinski's Rule of Five, 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid 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-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The CAS number of 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is 514182-16-2.
What is the molecular formula of 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The molecular formula of 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is C18H13NO6S.
What is the molecular weight of 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The molecular weight of 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is 371.05 g/mol.
Where can I buy 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
You can request a quote for 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)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-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.