Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate
TL;DR: Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate (CAS 92544-21-3) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1H-pyrrol-2-ylmethylidene)propanedioate
Also Known As: Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate, diethyl 2-(1H-pyrrol-2-ylmethylidene)propanedioate, Diethyl 2-((1H-pyrrol-2-yl)methylene)malonate, Pyrrol-2-ylmethylen-malonsaeure-diaethylester, Diethyl 2-((pyrrol-2-yl)methylidene)malonate
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 92544-21-3 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CN1)C(=O)OCC |
| InChIKey | ACBDEYMKVQPVAB-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate (CAS 92544-21-3), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: diethyl 2-(1H-pyrrol-2-ylmethylidene)propanedioate.
Chemical Property Profile of Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate
Property Insights of Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate. Following Lipinski's Rule of Five, Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate 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-(1H-pyrrol-2-ylmethylene)malonate?
The CAS number of Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate is 92544-21-3.
What is the molecular formula of Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate?
The molecular formula of Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate is C12H15NO4.
What is the molecular weight of Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate?
The molecular weight of Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate is 237.10 g/mol.
Where can I buy Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate?
You can request a quote for Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.