Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate
TL;DR: Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate (CAS 2436-79-5) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: Diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, Knorr's pyrrole, Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate, Knorr/'s pyrrole, BUTYLCROTONATE
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 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 | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 2436-79-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C |
| InChIKey | XSBSXJAYEPDGSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate (CAS 2436-79-5), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate
Property Insights of Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 2,4-dimethylpyrrole-3,5-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 2,4-dimethylpyrrole-3,5-dicarboxylate?
The CAS number of Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate is 2436-79-5.
What is the molecular formula of Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate?
The molecular formula of Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate is C12H17NO4.
What is the molecular weight of Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate?
The molecular weight of Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate is 239.12 g/mol.
Where can I buy Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate?
You can request a quote for Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.