Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate
TL;DR: Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate (CAS 29170-87-4) is a chemical compound with molecular formula C11H15NO4 and molecular weight 225.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate
Also Known As: Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate, 3-methyl-1H-pyrrole-2,5-dicarboxylic acid diethyl ester, 3-Methyl-pyrrole-2,5-dicarboxylic acid diethyl ester, diethyl 3-methylpyrrole-2,5-dicarboxylate, diethyl 3-methyl-pyrrole-2,5-dicarboxylate
| Molecular Formula | C11H15NO4 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 225.10011 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 29170-87-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(N1)C(=O)OCC)C |
| InChIKey | HIHHBIPXHZOHJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate (CAS 29170-87-4), with molecular formula C11H15NO4 and molecular weight 225.10 g/mol. IUPAC: diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate.
Chemical Property Profile of Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate
Property Insights of Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate 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 Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate?
The CAS number of Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate is 29170-87-4.
What is the molecular formula of Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate?
The molecular formula of Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate is C11H15NO4.
What is the molecular weight of Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate?
The molecular weight of Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate is 225.10 g/mol.
Where can I buy Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate?
You can request a quote for Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-methyl-1H-pyrrole-2,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.