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Diethyl [(benzylamino)methylidene]propanedioate
TL;DR: Diethyl [(benzylamino)methylidene]propanedioate (CAS 54535-21-6) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(benzylamino)methylidene]propanedioate
Also Known As: diethyl phenylmethylamino-methylenemalonate, Diethyl [(benzylamino)methylidene]propanedioate, diethyl 2-[(benzylamino)methylidene]propanedioate, J3.621.728F, (Benzylaminomethylene)malonic acid diethyl ester
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 54535-21-6 |
|---|---|
| SMILES | CCOC(=O)C(=CNCC1=CC=CC=C1)C(=O)OCC |
| InChIKey | JRWRTZSJZMSMGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl [(benzylamino)methylidene]propanedioate (CAS 54535-21-6), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: diethyl 2-[(benzylamino)methylidene]propanedioate.
Chemical Property Profile of Diethyl [(benzylamino)methylidene]propanedioate
Property Insights of Diethyl [(benzylamino)methylidene]propanedioate
The XLogP value of 3.2 indicates that Diethyl [(benzylamino)methylidene]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl [(benzylamino)methylidene]propanedioate. Following Lipinski's Rule of Five, Diethyl [(benzylamino)methylidene]propanedioate has 1 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 [(benzylamino)methylidene]propanedioate?
The CAS number of Diethyl [(benzylamino)methylidene]propanedioate is 54535-21-6.
What is the molecular formula of Diethyl [(benzylamino)methylidene]propanedioate?
The molecular formula of Diethyl [(benzylamino)methylidene]propanedioate is C15H19NO4.
What is the molecular weight of Diethyl [(benzylamino)methylidene]propanedioate?
The molecular weight of Diethyl [(benzylamino)methylidene]propanedioate is 277.13 g/mol.
Where can I buy Diethyl [(benzylamino)methylidene]propanedioate?
You can request a quote for Diethyl [(benzylamino)methylidene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [(benzylamino)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [(benzylamino)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.