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Diethyl [4-(dimethylamino)benzylidene]malonate
TL;DR: Diethyl [4-(dimethylamino)benzylidene]malonate (CAS 3435-56-1) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-(dimethylamino)phenyl]methylidene]propanedioate
Also Known As: Diethyl [4-(dimethylamino)benzylidene]malonate, Diethyl 2-(4-(dimethylamino)benzylidene)malonate, Diethyl 2-[4-(dimethylamino)benzylidene]malonate, diethyl 2-[[4-(dimethylamino)phenyl]methylidene]propanedioate, 4-Dimethylaminobenzylidenemalonic acid, diethyl ester
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 3435-56-1 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)N(C)C)C(=O)OCC |
| InChIKey | BEYLVANPYLXGSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl [4-(dimethylamino)benzylidene]malonate (CAS 3435-56-1), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: diethyl 2-[[4-(dimethylamino)phenyl]methylidene]propanedioate.
Chemical Property Profile of Diethyl [4-(dimethylamino)benzylidene]malonate
Property Insights of Diethyl [4-(dimethylamino)benzylidene]malonate
The XLogP value of 3.5 indicates that Diethyl [4-(dimethylamino)benzylidene]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl [4-(dimethylamino)benzylidene]malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl [4-(dimethylamino)benzylidene]malonate 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 [4-(dimethylamino)benzylidene]malonate?
The CAS number of Diethyl [4-(dimethylamino)benzylidene]malonate is 3435-56-1.
What is the molecular formula of Diethyl [4-(dimethylamino)benzylidene]malonate?
The molecular formula of Diethyl [4-(dimethylamino)benzylidene]malonate is C16H21NO4.
What is the molecular weight of Diethyl [4-(dimethylamino)benzylidene]malonate?
The molecular weight of Diethyl [4-(dimethylamino)benzylidene]malonate is 291.15 g/mol.
Where can I buy Diethyl [4-(dimethylamino)benzylidene]malonate?
You can request a quote for Diethyl [4-(dimethylamino)benzylidene]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [4-(dimethylamino)benzylidene]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [4-(dimethylamino)benzylidene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.