Diethyl benzamidomalonate
TL;DR: Diethyl benzamidomalonate (CAS 16798-45-1) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-benzamidopropanedioate
Also Known As: Diethyl benzamidomalonate, Diethyl 2-benzamidomalonate, Diethyl benzoylaminomalonate, diethyl 2-benzamidopropanedioate, Ethyl benzaminomalonate
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 279.1107 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 16798-45-1 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)NC(=O)C1=CC=CC=C1 |
| InChIKey | NMSZTQWZINJIMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl benzamidomalonate (CAS 16798-45-1), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: diethyl 2-benzamidopropanedioate.
Chemical Property Profile of Diethyl benzamidomalonate
Property Insights of Diethyl benzamidomalonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl benzamidomalonate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl benzamidomalonate. Following Lipinski's Rule of Five, Diethyl benzamidomalonate 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 benzamidomalonate?
The CAS number of Diethyl benzamidomalonate is 16798-45-1.
What is the molecular formula of Diethyl benzamidomalonate?
The molecular formula of Diethyl benzamidomalonate is C14H17NO5.
What is the molecular weight of Diethyl benzamidomalonate?
The molecular weight of Diethyl benzamidomalonate is 279.11 g/mol.
Where can I buy Diethyl benzamidomalonate?
You can request a quote for Diethyl benzamidomalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl benzamidomalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl benzamidomalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.