![2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid structure](/static/products/5141/514182-18-4.webp)
2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid
TL;DR: 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid (CAS 514182-18-4) is a chemical compound with molecular formula C18H14N2O7S and molecular weight 402.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-methoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
Also Known As: VU0509411-1, VU0509411-2, 2-{[1-(4-methoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid, 2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid, 2-[1-(4-methoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
| Molecular Formula | C18H14N2O7S |
|---|---|
| Molecular Weight | 402.05 g/mol |
| LogP | 2.7258 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.0522 |
| Heavy Atoms | 28 |
| Complexity | 991.6495 |
Chemical Identifiers
| CAS Number | 514182-18-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)[N+](=O)[O-] |
Product Overview
2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid (CAS 514182-18-4), with molecular formula C18H14N2O7S and molecular weight 402.05 g/mol. IUPAC: 2-[1-(4-methoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid.
Chemical Property Profile of 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid
Property Insights of 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid
The XLogP value of 2.7258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid. The TPSA of 127.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid. Following Lipinski's Rule of Five, 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid has 1 hydrogen bond donor(s) and 7 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-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid?
The CAS number of 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid is 514182-18-4.
What is the molecular formula of 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid?
The molecular formula of 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid is C18H14N2O7S.
What is the molecular weight of 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid?
The molecular weight of 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid is 402.05 g/mol.
Where can I buy 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid?
You can request a quote for 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]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-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.