![[1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate structure](/static/products/7103/71039-97-9.webp)
[1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate
TL;DR: [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate (CAS 71039-97-9) is a chemical compound with molecular formula C13H10ClNO4 and molecular weight 279.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate
Also Known As: [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate|[1- -5-oxo-2H-pyrrol-3-yl]acetate|1-(4-Chlorobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl acetate
| Molecular Formula | C13H10ClNO4 |
|---|---|
| Molecular Weight | 279.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.02985 |
| Heavy Atoms | 19 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 71039-97-9 |
|---|---|
| SMILES | CC(=O)OC1=CC(=O)N(C1)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | HOTVZVKPDSBWOK-UHFFFAOYSA-N |
Product Overview
[1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate (CAS 71039-97-9), with molecular formula C13H10ClNO4 and molecular weight 279.03 g/mol. IUPAC: [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate.
Chemical Property Profile of [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate
Property Insights of [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate. Following Lipinski's Rule of Five, [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate 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 [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate?
The CAS number of [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate is 71039-97-9.
What is the molecular formula of [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate?
The molecular formula of [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate is C13H10ClNO4.
What is the molecular weight of [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate?
The molecular weight of [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate is 279.03 g/mol.
Where can I buy [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate?
You can request a quote for [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-chlorobenzoyl)-5-oxo-2H-pyrrol-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.