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Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate
TL;DR: Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate (CAS 1508-11-8) is a chemical compound with molecular formula C12H19NO4 and molecular weight 241.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate
Also Known As: diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate, diethyl 2-[(2E)-3-(dimethylamino)-2-propenylidene]malonate
| Molecular Formula | C12H19NO4 |
|---|---|
| Molecular Weight | 241.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 241.13141 |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 1508-11-8 |
|---|---|
| SMILES | CCOC(=O)C(=CC=CN(C)C)C(=O)OCC |
| InChIKey | OCXNVSPPCFBPSP-UHFFFAOYSA-N |
Product Overview
Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate (CAS 1508-11-8), with molecular formula C12H19NO4 and molecular weight 241.13 g/mol. IUPAC: diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate
Property Insights of Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate has 0 hydrogen bond donor(s) and 5 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-[3-(dimethylamino)prop-2-enylidene]propanedioate?
The CAS number of Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate is 1508-11-8.
What is the molecular formula of Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate?
The molecular formula of Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate is C12H19NO4.
What is the molecular weight of Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate?
The molecular weight of Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate is 241.13 g/mol.
Where can I buy Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate?
You can request a quote for Diethyl 2-[3-(dimethylamino)prop-2-enylidene]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-[3-(dimethylamino)prop-2-enylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[3-(dimethylamino)prop-2-enylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.