Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate
TL;DR: Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate (CAS 55404-20-1) is a chemical compound with molecular formula C17H19NO5 and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-hydroxy-1-methyl-5-phenylpyrrole-2,4-dicarboxylate
Also Known As: Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate, diethyl 3-hydroxy-1-methyl-5-phenylpyrrole-2,4-dicarboxylate, Diethyl 3-hydroxy-1-methyl-5-phenyl-1H-pyrrole-2,4-dicarboxylate, 3-Hydroxy-1-methyl-5-phenyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester, Diethyl 3-hydroxy-1-methyl-5-phenyl-1H-pyrrole-2,4-dicarboxylate #
| Molecular Formula | C17H19NO5 |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.1263 |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 55404-20-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1O)C(=O)OCC)C)C2=CC=CC=C2 |
| InChIKey | LPDGLEHUIQGFHC-UHFFFAOYSA-N |
Product Overview
Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate (CAS 55404-20-1), with molecular formula C17H19NO5 and molecular weight 317.13 g/mol. IUPAC: diethyl 3-hydroxy-1-methyl-5-phenylpyrrole-2,4-dicarboxylate.
Chemical Property Profile of Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate
Property Insights of Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate
The XLogP value of 3.3 indicates that Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate 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 Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate?
The CAS number of Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate is 55404-20-1.
What is the molecular formula of Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate?
The molecular formula of Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate is C17H19NO5.
What is the molecular weight of Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate?
The molecular weight of Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate is 317.13 g/mol.
Where can I buy Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate?
You can request a quote for Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-methyl-3-hydroxy-5-phenylpyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.