![[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate structure](/static/products/802/802971-91-1.png)
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate
TL;DR: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate (CAS 802971-91-1) is a chemical compound with molecular formula C14H12ClNO4 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate
Also Known As: AB00737378-01, [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate, 2-oxo-2-(1H-pyrrol-2-yl)ethyl 5-chloro-2-methoxybenzoate
| Molecular Formula | C14H12ClNO4 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 2.7164 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.04547 |
| Heavy Atoms | 20 |
| Complexity | 622.1091 |
Chemical Identifiers
| CAS Number | 802971-91-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)C2=CC=CN2 |
Product Overview
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate (CAS 802971-91-1), with molecular formula C14H12ClNO4 and molecular weight 293.05 g/mol. IUPAC: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate.
Chemical Property Profile of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate
Property Insights of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate
The XLogP value of 2.7164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate. Following Lipinski's Rule of Five, [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate has 1 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 [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate?
The CAS number of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate is 802971-91-1.
What is the molecular formula of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate?
The molecular formula of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate is C14H12ClNO4.
What is the molecular weight of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate?
The molecular weight of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate is 293.05 g/mol.
Where can I buy [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate?
You can request a quote for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chloro-2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.