![Diethyl [(naphthalen-1-yl)methylidene]propanedioate structure](/static/products/5250/52505-38-1.webp)
Diethyl [(naphthalen-1-yl)methylidene]propanedioate
TL;DR: Diethyl [(naphthalen-1-yl)methylidene]propanedioate (CAS 52505-38-1) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(naphthalen-1-ylmethylidene)propanedioate
Also Known As: Diethyl [(naphthalen-1-yl)methylidene]propanedioate, diethyl 2-(naphthalen-1-ylmethylidene)propanedioate, J1.530.163E, 2-(1-Naphthylmethylene)malonic acid diethyl ester, 1,3-diethyl 2-[(naphthalen-1-yl)methylidene]propanedioate
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 52505-38-1 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CC2=CC=CC=C21)C(=O)OCC |
| InChIKey | AFBQSUUVVNVVTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl [(naphthalen-1-yl)methylidene]propanedioate (CAS 52505-38-1), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: diethyl 2-(naphthalen-1-ylmethylidene)propanedioate.
Chemical Property Profile of Diethyl [(naphthalen-1-yl)methylidene]propanedioate
Property Insights of Diethyl [(naphthalen-1-yl)methylidene]propanedioate
The XLogP value of 4.2 indicates that Diethyl [(naphthalen-1-yl)methylidene]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl [(naphthalen-1-yl)methylidene]propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl [(naphthalen-1-yl)methylidene]propanedioate has 0 hydrogen bond donor(s) and 4 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 [(naphthalen-1-yl)methylidene]propanedioate?
The CAS number of Diethyl [(naphthalen-1-yl)methylidene]propanedioate is 52505-38-1.
What is the molecular formula of Diethyl [(naphthalen-1-yl)methylidene]propanedioate?
The molecular formula of Diethyl [(naphthalen-1-yl)methylidene]propanedioate is C18H18O4.
What is the molecular weight of Diethyl [(naphthalen-1-yl)methylidene]propanedioate?
The molecular weight of Diethyl [(naphthalen-1-yl)methylidene]propanedioate is 298.12 g/mol.
Where can I buy Diethyl [(naphthalen-1-yl)methylidene]propanedioate?
You can request a quote for Diethyl [(naphthalen-1-yl)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 [(naphthalen-1-yl)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [(naphthalen-1-yl)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.