Naphthalen-1-yl (4-chlorophenoxy)acetate
TL;DR: Naphthalen-1-yl (4-chlorophenoxy)acetate (CAS 433319-39-2) is a chemical compound with molecular formula C18H13ClO3 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl 2-(4-chlorophenoxy)acetate
Also Known As: naphthalen-1-yl (4-chlorophenoxy)acetate, naphthalen-1-yl 2-(4-chlorophenoxy)acetate, 1-naphthyl (4-chlorophenoxy)acetate, AN-329/40887451
| Molecular Formula | C18H13ClO3 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 4.4776 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.05533 |
| Heavy Atoms | 22 |
| Complexity | 791.54626 |
Chemical Identifiers
| CAS Number | 433319-39-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2OC(=O)COC3=CC=C(C=C3)Cl |
Product Overview
Naphthalen-1-yl (4-chlorophenoxy)acetate (CAS 433319-39-2), with molecular formula C18H13ClO3 and molecular weight 312.06 g/mol. IUPAC: naphthalen-1-yl 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of Naphthalen-1-yl (4-chlorophenoxy)acetate
Property Insights of Naphthalen-1-yl (4-chlorophenoxy)acetate
The XLogP value of 4.4776 indicates that Naphthalen-1-yl (4-chlorophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Naphthalen-1-yl (4-chlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphthalen-1-yl (4-chlorophenoxy)acetate has 0 hydrogen bond donor(s) and 3 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 Naphthalen-1-yl (4-chlorophenoxy)acetate?
The CAS number of Naphthalen-1-yl (4-chlorophenoxy)acetate is 433319-39-2.
What is the molecular formula of Naphthalen-1-yl (4-chlorophenoxy)acetate?
The molecular formula of Naphthalen-1-yl (4-chlorophenoxy)acetate is C18H13ClO3.
What is the molecular weight of Naphthalen-1-yl (4-chlorophenoxy)acetate?
The molecular weight of Naphthalen-1-yl (4-chlorophenoxy)acetate is 312.06 g/mol.
Where can I buy Naphthalen-1-yl (4-chlorophenoxy)acetate?
You can request a quote for Naphthalen-1-yl (4-chlorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalen-1-yl (4-chlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Naphthalen-1-yl (4-chlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.