Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate
TL;DR: Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate (CAS 32953-23-4) is a chemical compound with molecular formula C17H21NO6 and molecular weight 335.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[1,3-benzodioxol-5-yl(ethyl)amino]methylidene]propanedioate
Also Known As: 3,4-dimethoxy-phenylethylamine, Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate, diethyl[[N-ethyl-3,4- anilino]methylene]malonate, diethyl{[1,3-benzodioxol-5-yl(ethyl)amino]methylidene}propanedioate, DIETHYL [[N-ETHYL-3,4-(METHYLENEDIOXY)ANILINO]METHYLENE]MALONATE
| Molecular Formula | C17H21NO6 |
|---|---|
| Molecular Weight | 335.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 335.1369 |
| Heavy Atoms | 24 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 32953-23-4 |
|---|---|
| SMILES | CCN(C=C(C(=O)OCC)C(=O)OCC)C1=CC2=C(C=C1)OCO2 |
| InChIKey | MJPSXFFZUVDQND-UHFFFAOYSA-N |
Product Overview
Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate (CAS 32953-23-4), with molecular formula C17H21NO6 and molecular weight 335.14 g/mol. IUPAC: diethyl 2-[[1,3-benzodioxol-5-yl(ethyl)amino]methylidene]propanedioate.
Chemical Property Profile of Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate
Property Insights of Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate
The XLogP value of 3.0 indicates that Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate. Following Lipinski's Rule of Five, Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate has 0 hydrogen bond donor(s) and 7 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 ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate?
The CAS number of Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate is 32953-23-4.
What is the molecular formula of Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate?
The molecular formula of Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate is C17H21NO6.
What is the molecular weight of Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate?
The molecular weight of Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate is 335.14 g/mol.
Where can I buy Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate?
You can request a quote for Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ((N-ethyl-3,4-(methylenedioxy)anilino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.