2-Chloroethyl naphthalen-1-ylacetate
TL;DR: 2-Chloroethyl naphthalen-1-ylacetate (CAS 109664-01-9) is a chemical compound with molecular formula C14H13ClO2 and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2-naphthalen-1-ylacetate
Also Known As: 2-chloroethyl naphthalen-1-ylacetate, 2-Chloraethyl-1-naphthylacetat, 2-chloroethyl 2-naphthalen-1-ylacetate, 2-chloroethyl 1-naphthyl acetate, 2-Chloroethyl (naphthalen-1-yl)acetate
| Molecular Formula | C14H13ClO2 |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.06041 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 109664-01-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CC(=O)OCCCl |
| InChIKey | ALLDSFKMNAEFNT-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl naphthalen-1-ylacetate (CAS 109664-01-9), with molecular formula C14H13ClO2 and molecular weight 248.06 g/mol. IUPAC: 2-chloroethyl 2-naphthalen-1-ylacetate.
Chemical Property Profile of 2-Chloroethyl naphthalen-1-ylacetate
Property Insights of 2-Chloroethyl naphthalen-1-ylacetate
The XLogP value of 3.7 indicates that 2-Chloroethyl naphthalen-1-ylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloroethyl naphthalen-1-ylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl naphthalen-1-ylacetate 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 2-Chloroethyl naphthalen-1-ylacetate?
The CAS number of 2-Chloroethyl naphthalen-1-ylacetate is 109664-01-9.
What is the molecular formula of 2-Chloroethyl naphthalen-1-ylacetate?
The molecular formula of 2-Chloroethyl naphthalen-1-ylacetate is C14H13ClO2.
What is the molecular weight of 2-Chloroethyl naphthalen-1-ylacetate?
The molecular weight of 2-Chloroethyl naphthalen-1-ylacetate is 248.06 g/mol.
Where can I buy 2-Chloroethyl naphthalen-1-ylacetate?
You can request a quote for 2-Chloroethyl naphthalen-1-ylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl naphthalen-1-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl naphthalen-1-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.