Ethyl 1-naphthoate
TL;DR: Ethyl 1-naphthoate (CAS 3007-97-4) is a chemical compound with molecular formula C13H12O2 and molecular weight 200.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl naphthalene-1-carboxylate
Also Known As: Ethyl 1-naphthoate, Ethyl alpha-naphthoate, ethyl naphthalene-1-carboxylate, Ethyl1-naphthoate, ethyl a-naphthoate
| Molecular Formula | C13H12O2 |
|---|---|
| Molecular Weight | 200.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.08372 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 3007-97-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC2=CC=CC=C21 |
| InChIKey | XCTLDQQOHIEUCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-naphthoate (CAS 3007-97-4), with molecular formula C13H12O2 and molecular weight 200.08 g/mol. IUPAC: ethyl naphthalene-1-carboxylate.
Chemical Property Profile of Ethyl 1-naphthoate
Property Insights of Ethyl 1-naphthoate
The XLogP value of 3.8 indicates that Ethyl 1-naphthoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 1-naphthoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-naphthoate has 0 hydrogen bond donor(s) and 2 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 Ethyl 1-naphthoate?
The CAS number of Ethyl 1-naphthoate is 3007-97-4.
What is the molecular formula of Ethyl 1-naphthoate?
The molecular formula of Ethyl 1-naphthoate is C13H12O2.
What is the molecular weight of Ethyl 1-naphthoate?
The molecular weight of Ethyl 1-naphthoate is 200.08 g/mol.
Where can I buy Ethyl 1-naphthoate?
You can request a quote for Ethyl 1-naphthoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.