2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 742111-80-4) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 3.06994 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 673.4674 |
Chemical Identifiers
| CAS Number | 742111-80-4 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)OCCOC2=CC=CC=C2 |
Product Overview
2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 742111-80-4), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 3.06994 indicates that 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate 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-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is 742111-80-4.
What is the molecular formula of 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is C17H19NO4.
What is the molecular weight of 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is 301.13 g/mol.
Where can I buy 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-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-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.