Diethyl 2-(2-naphthylamino)malonate
TL;DR: Diethyl 2-(2-naphthylamino)malonate (CAS 6248-33-5) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(naphthalen-2-ylamino)propanedioate
Also Known As: diethyl 2-(2-naphthylamino)malonate, diethyl 2-(naphthalen-2-ylamino)propanedioate, Diethyl 2-(naphthalen-2-ylamino)malonate, diethyl(naphthalen-2-ylamino)propanedioate, 2-(2-naphthylamino)malonic acid diethyl ester
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 6248-33-5 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)NC1=CC2=CC=CC=C2C=C1 |
| InChIKey | ACVAPXTZJANMHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(2-naphthylamino)malonate (CAS 6248-33-5), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: diethyl 2-(naphthalen-2-ylamino)propanedioate.
Chemical Property Profile of Diethyl 2-(2-naphthylamino)malonate
Property Insights of Diethyl 2-(2-naphthylamino)malonate
The XLogP value of 3.9 indicates that Diethyl 2-(2-naphthylamino)malonate 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 2-(2-naphthylamino)malonate. Following Lipinski's Rule of Five, Diethyl 2-(2-naphthylamino)malonate 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 2-(2-naphthylamino)malonate?
The CAS number of Diethyl 2-(2-naphthylamino)malonate is 6248-33-5.
What is the molecular formula of Diethyl 2-(2-naphthylamino)malonate?
The molecular formula of Diethyl 2-(2-naphthylamino)malonate is C17H19NO4.
What is the molecular weight of Diethyl 2-(2-naphthylamino)malonate?
The molecular weight of Diethyl 2-(2-naphthylamino)malonate is 301.13 g/mol.
Where can I buy Diethyl 2-(2-naphthylamino)malonate?
You can request a quote for Diethyl 2-(2-naphthylamino)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(2-naphthylamino)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(2-naphthylamino)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.