Diethyl 3,4-pyrroledicarboxylate
TL;DR: Diethyl 3,4-pyrroledicarboxylate (CAS 41969-71-5) is a chemical compound with molecular formula C10H13NO4 and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1H-pyrrole-3,4-dicarboxylate
Also Known As: Diethyl 3,4-pyrroledicarboxylate, diethyl 1H-pyrrole-3,4-dicarboxylate, DOWANOL(TM)PNB, 3,4-diethyl 1H-pyrrole-3,4-dicarboxylate, Diethyl pyrrole-3,4-dicarboxylate
| Molecular Formula | C10H13NO4 |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.08446 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 41969-71-5 |
|---|---|
| SMILES | CCOC(=O)C1=CNC=C1C(=O)OCC |
| InChIKey | QKXBVVVYILIRDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 3,4-pyrroledicarboxylate (CAS 41969-71-5), with molecular formula C10H13NO4 and molecular weight 211.08 g/mol. IUPAC: diethyl 1H-pyrrole-3,4-dicarboxylate.
Chemical Property Profile of Diethyl 3,4-pyrroledicarboxylate
Property Insights of Diethyl 3,4-pyrroledicarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3,4-pyrroledicarboxylate. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3,4-pyrroledicarboxylate. Following Lipinski's Rule of Five, Diethyl 3,4-pyrroledicarboxylate 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 3,4-pyrroledicarboxylate?
The CAS number of Diethyl 3,4-pyrroledicarboxylate is 41969-71-5.
What is the molecular formula of Diethyl 3,4-pyrroledicarboxylate?
The molecular formula of Diethyl 3,4-pyrroledicarboxylate is C10H13NO4.
What is the molecular weight of Diethyl 3,4-pyrroledicarboxylate?
The molecular weight of Diethyl 3,4-pyrroledicarboxylate is 211.08 g/mol.
Where can I buy Diethyl 3,4-pyrroledicarboxylate?
You can request a quote for Diethyl 3,4-pyrroledicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3,4-pyrroledicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3,4-pyrroledicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.