Ethyl 4-(1-naphthyl)butanoate
TL;DR: Ethyl 4-(1-naphthyl)butanoate (CAS 70838-03-8) is a chemical compound with molecular formula C16H18O2 and molecular weight 242.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-naphthalen-1-ylbutanoate
Also Known As: Ethyl 4-(1-naphthyl)butanoate, ethyl 4-(naphthalen-1-yl)butanoate, ethyl 4-naphthalen-1-ylbutanoate, Ethyl .gamma.-[1-naphthyl]butyrate, Ethyl 4-(1-naphthyl)butanoate #
| Molecular Formula | C16H18O2 |
|---|---|
| Molecular Weight | 242.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.13068 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 70838-03-8 |
|---|---|
| SMILES | CCOC(=O)CCCC1=CC=CC2=CC=CC=C21 |
| InChIKey | CLIGSMWJCIJRGQ-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(1-naphthyl)butanoate (CAS 70838-03-8), with molecular formula C16H18O2 and molecular weight 242.13 g/mol. IUPAC: ethyl 4-naphthalen-1-ylbutanoate.
Chemical Property Profile of Ethyl 4-(1-naphthyl)butanoate
Property Insights of Ethyl 4-(1-naphthyl)butanoate
The XLogP value of 4.4 indicates that Ethyl 4-(1-naphthyl)butanoate 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 4-(1-naphthyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(1-naphthyl)butanoate 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 4-(1-naphthyl)butanoate?
The CAS number of Ethyl 4-(1-naphthyl)butanoate is 70838-03-8.
What is the molecular formula of Ethyl 4-(1-naphthyl)butanoate?
The molecular formula of Ethyl 4-(1-naphthyl)butanoate is C16H18O2.
What is the molecular weight of Ethyl 4-(1-naphthyl)butanoate?
The molecular weight of Ethyl 4-(1-naphthyl)butanoate is 242.13 g/mol.
Where can I buy Ethyl 4-(1-naphthyl)butanoate?
You can request a quote for Ethyl 4-(1-naphthyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(1-naphthyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(1-naphthyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.