4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid
TL;DR: 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid (CAS 313378-50-6) is a chemical compound with molecular formula C19H22N2O6 and molecular weight 374.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-ethoxycarbonylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
Also Known As: BAS 00729889, 1-[1-(4-Carboxy-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-piperidine-4-carboxylic acid, 4-(3-(4-(ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid, 4-[3-(4-ethoxycarbonylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid, 4-{3-[4-(ethoxycarbonyl)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
| Molecular Formula | C19H22N2O6 |
|---|---|
| Molecular Weight | 374.15 g/mol |
| LogP | 1.2918 |
| Topological Polar Surface Area | 104.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.1478 |
| Heavy Atoms | 27 |
| Complexity | 751.9683 |
Chemical Identifiers
| CAS Number | 313378-50-6 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid (CAS 313378-50-6), with molecular formula C19H22N2O6 and molecular weight 374.15 g/mol. IUPAC: 4-[3-(4-ethoxycarbonylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid
Property Insights of 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid
The XLogP value of 1.2918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid. The TPSA of 104.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)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 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid?
The CAS number of 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid is 313378-50-6.
What is the molecular formula of 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid?
The molecular formula of 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid is C19H22N2O6.
What is the molecular weight of 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid?
The molecular weight of 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid is 374.15 g/mol.
Where can I buy 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid?
You can request a quote for 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(4-(Ethoxycarbonyl)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.