2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
TL;DR: 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate (CAS 877405-52-2) is a chemical compound with molecular formula C16H14Cl2N2O4 and molecular weight 368.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
Also Known As: 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate, [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
| Molecular Formula | C16H14Cl2N2O4 |
|---|---|
| Molecular Weight | 368.03 g/mol |
| LogP | 3.57564 |
| Topological Polar Surface Area | 89.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.03305 |
| Heavy Atoms | 24 |
| Complexity | 842.8432 |
Chemical Identifiers
| CAS Number | 877405-52-2 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl |
Product Overview
2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate (CAS 877405-52-2), with molecular formula C16H14Cl2N2O4 and molecular weight 368.03 g/mol. IUPAC: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.
Chemical Property Profile of 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
Property Insights of 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
The XLogP value of 3.57564 indicates that 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate. Following Lipinski's Rule of Five, 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate has 1 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 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate?
The CAS number of 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate is 877405-52-2.
What is the molecular formula of 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate?
The molecular formula of 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate is C16H14Cl2N2O4.
What is the molecular weight of 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate?
The molecular weight of 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate is 368.03 g/mol.
Where can I buy 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate?
You can request a quote for 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.