Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate
TL;DR: Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate (CAS 101998-48-5) is a chemical compound with molecular formula C11H18N2O4 and molecular weight 242.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate
Also Known As: diethyl (1-methyl-2-imidazolidinylidene)malonate, diethyl (1-methylimidazolidin-2-ylidene)propanedioate, diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate
| Molecular Formula | C11H18N2O4 |
|---|---|
| Molecular Weight | 242.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.12666 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 101998-48-5 |
|---|---|
| SMILES | CCOC(=O)C(=C1NCCN1C)C(=O)OCC |
| InChIKey | DDHPGBQDUZHDPU-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate (CAS 101998-48-5), with molecular formula C11H18N2O4 and molecular weight 242.13 g/mol. IUPAC: diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate.
Chemical Property Profile of Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate
Property Insights of Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate has 1 hydrogen bond donor(s) and 6 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-(1-methylimidazolidin-2-ylidene)propanedioate?
The CAS number of Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate is 101998-48-5.
What is the molecular formula of Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate?
The molecular formula of Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate is C11H18N2O4.
What is the molecular weight of Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate?
The molecular weight of Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate is 242.13 g/mol.
Where can I buy Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate?
You can request a quote for Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(1-methylimidazolidin-2-ylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.