tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
TL;DR: tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (CAS 680185-88-0) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-(2,5-dioxopyrrol-1-yl)benzoate
Also Known As: tert-butyl 3-(2,5-dioxopyrrol-1-yl)benzoate, tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate, 3-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-benzoic acid tert-butyl ester, 3-(2,5-dioxo-2,5-dihydropyrrol-1-yl)benzoic acid tert-butyl ester, tert-Butyl3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 2.0713 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 592.5447 |
Chemical Identifiers
| CAS Number | 680185-88-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC(=CC=C1)N2C(=O)C=CC2=O |
Product Overview
tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (CAS 680185-88-0), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: tert-butyl 3-(2,5-dioxopyrrol-1-yl)benzoate.
Chemical Property Profile of tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
Property Insights of tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
The XLogP value of 2.0713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate. Following Lipinski's Rule of Five, tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate has 0 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 tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The CAS number of tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 680185-88-0.
What is the molecular formula of tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular formula of tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is C15H15NO4.
What is the molecular weight of tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular weight of tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 273.10 g/mol.
Where can I buy tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
You can request a quote for tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.