α-萘乙酸乙酯
TL;DR: α-萘乙酸乙酯 (CAS 2122-70-5) is a chemical compound with molecular formula C14H14O2 and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-萘乙酸乙酯
ethyl 2-naphthalen-1-ylacetate
Also Known As: Ethyl 1-naphthaleneacetate, Ethyl 2-(1-Naphthyl)acetate, Ethyl 1-naphthylacetate, Ethyl naphthaleneacetate, NAA-ethyl ester
| Molecular Formula | C14H14O2 |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.09938 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
| Melting Point | 88.5 °C |
Chemical Identifiers
| CAS Number | 2122-70-5 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=CC2=CC=CC=C21 |
| InChIKey | XIDPSKQLXKCVQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-萘乙酸乙酯 (CAS 2122-70-5), with molecular formula C14H14O2 and molecular weight 214.10 g/mol. IUPAC: ethyl 2-naphthalen-1-ylacetate.
Chemical Property Profile of α-萘乙酸乙酯
Property Insights of α-萘乙酸乙酯
The XLogP value of 3.4 indicates that α-萘乙酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, α-萘乙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-萘乙酸乙酯 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 α-萘乙酸乙酯?
The CAS number of α-萘乙酸乙酯 is 2122-70-5.
What is the molecular formula of α-萘乙酸乙酯?
The molecular formula of α-萘乙酸乙酯 is C14H14O2.
What is the molecular weight of α-萘乙酸乙酯?
The molecular weight of α-萘乙酸乙酯 is 214.10 g/mol.
Where can I buy α-萘乙酸乙酯?
You can request a quote for α-萘乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-萘乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for α-萘乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.