Propyl 1-naphthylacetate
TL;DR: Propyl 1-naphthylacetate (CAS 551-04-2) is a chemical compound with molecular formula C15H16O2 and molecular weight 228.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-naphthalen-1-ylacetate
Also Known As: propyl 1-naphthylacetate, propyl 2-naphthalen-1-ylacetate, Propyl (naphthalen-1-yl)acetate, PROPYL 2-(NAPHTHALEN-1-YL)ACETATE, 1-Naphthaleneacetic acid propyl ester
| Molecular Formula | C15H16O2 |
|---|---|
| Molecular Weight | 228.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.11504 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 551-04-2 |
|---|---|
| SMILES | CCCOC(=O)CC1=CC=CC2=CC=CC=C21 |
| InChIKey | MZIHHQHACSMVIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 1-naphthylacetate (CAS 551-04-2), with molecular formula C15H16O2 and molecular weight 228.12 g/mol. IUPAC: propyl 2-naphthalen-1-ylacetate.
Chemical Property Profile of Propyl 1-naphthylacetate
Property Insights of Propyl 1-naphthylacetate
The XLogP value of 4.0 indicates that Propyl 1-naphthylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 1-naphthylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 1-naphthylacetate 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 Propyl 1-naphthylacetate?
The CAS number of Propyl 1-naphthylacetate is 551-04-2.
What is the molecular formula of Propyl 1-naphthylacetate?
The molecular formula of Propyl 1-naphthylacetate is C15H16O2.
What is the molecular weight of Propyl 1-naphthylacetate?
The molecular weight of Propyl 1-naphthylacetate is 228.12 g/mol.
Where can I buy Propyl 1-naphthylacetate?
You can request a quote for Propyl 1-naphthylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 1-naphthylacetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 1-naphthylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.