![Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate structure](/static/products/3157/315710-84-0.webp)
Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate
TL;DR: Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate (CAS 315710-84-0) is a chemical compound with molecular formula C20H22ClNO5 and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylate
Also Known As: ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate, diethyl 5-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylate, 1,3-diethyl 5-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzene-1,3-dicarboxylate, Diethyl 5-[3-(2-chloroacetyl)-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylate
| Molecular Formula | C20H22ClNO5 |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 3.86904 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.11865 |
| Heavy Atoms | 27 |
| Complexity | 848.4875 |
Chemical Identifiers
| CAS Number | 315710-84-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)CCl)C)C(=O)OCC |
Product Overview
Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate (CAS 315710-84-0), with molecular formula C20H22ClNO5 and molecular weight 391.12 g/mol. IUPAC: diethyl 5-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylate.
Chemical Property Profile of Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate
Property Insights of Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate
The XLogP value of 3.86904 indicates that Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate. Following Lipinski's Rule of Five, Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate has 0 hydrogen bond donor(s) and 5 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 Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate?
The CAS number of Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate is 315710-84-0.
What is the molecular formula of Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate?
The molecular formula of Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate is C20H22ClNO5.
What is the molecular weight of Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate?
The molecular weight of Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate is 391.12 g/mol.
Where can I buy Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate?
You can request a quote for Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]-5-(ethoxycarbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.