diethyl 2-(1H-pyrrol-1-yl)malonate
TL;DR: diethyl 2-(1H-pyrrol-1-yl)malonate (CAS 67451-43-8) 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 2-pyrrol-1-ylpropanedioate
Also Known As: diethyl 2-(1H-pyrrol-1-yl)malonate, Diethyl 2-pyrrol-1-ylpropanedioate, Diethyl pyrrol-1-ylmalonate, 1,3-diethyl 2-(1H-pyrrol-1-yl)propanedioate, Diethyl (1H-pyrrol-1-yl)propanedioate
| Molecular Formula | C11H15NO4 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 1.1554 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.10011 |
| Heavy Atoms | 16 |
| Complexity | 326.87634 |
Chemical Identifiers
| CAS Number | 67451-43-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)N1C=CC=C1 |
Product Overview
diethyl 2-(1H-pyrrol-1-yl)malonate (CAS 67451-43-8), with molecular formula C11H15NO4 and molecular weight 225.10 g/mol. IUPAC: diethyl 2-pyrrol-1-ylpropanedioate.
Chemical Property Profile of diethyl 2-(1H-pyrrol-1-yl)malonate
Property Insights of diethyl 2-(1H-pyrrol-1-yl)malonate
The XLogP value of 1.1554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-(1H-pyrrol-1-yl)malonate. With a topological polar surface area (TPSA) of 57.53 Ų, diethyl 2-(1H-pyrrol-1-yl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, diethyl 2-(1H-pyrrol-1-yl)malonate has 0 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-1-yl)malonate?
The CAS number of diethyl 2-(1H-pyrrol-1-yl)malonate is 67451-43-8.
What is the molecular formula of diethyl 2-(1H-pyrrol-1-yl)malonate?
The molecular formula of diethyl 2-(1H-pyrrol-1-yl)malonate is C11H15NO4.
What is the molecular weight of diethyl 2-(1H-pyrrol-1-yl)malonate?
The molecular weight of diethyl 2-(1H-pyrrol-1-yl)malonate is 225.10 g/mol.
Where can I buy diethyl 2-(1H-pyrrol-1-yl)malonate?
You can request a quote for diethyl 2-(1H-pyrrol-1-yl)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-1-yl)malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-(1H-pyrrol-1-yl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.