1-Naphthyl 3-chlorobenzoate
TL;DR: 1-Naphthyl 3-chlorobenzoate (CAS 109090-11-1) is a chemical compound with molecular formula C17H11ClO2 and molecular weight 282.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl 3-chlorobenzoate
Also Known As: 1-naphthyl 3-chlorobenzoate, 1-Naphthalenyl 3-chlorobenzoate, naphthalen-1-yl 3-chlorobenzoate, AN-652/11812301
| Molecular Formula | C17H11ClO2 |
|---|---|
| Molecular Weight | 282.04 g/mol |
| LogP | 4.7124 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.04477 |
| Heavy Atoms | 20 |
| Complexity | 775.3018 |
Chemical Identifiers
| CAS Number | 109090-11-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC(=CC=C3)Cl |
Product Overview
1-Naphthyl 3-chlorobenzoate (CAS 109090-11-1), with molecular formula C17H11ClO2 and molecular weight 282.04 g/mol. IUPAC: naphthalen-1-yl 3-chlorobenzoate.
Chemical Property Profile of 1-Naphthyl 3-chlorobenzoate
Property Insights of 1-Naphthyl 3-chlorobenzoate
The XLogP value of 4.7124 indicates that 1-Naphthyl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Naphthyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthyl 3-chlorobenzoate 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 1-Naphthyl 3-chlorobenzoate?
The CAS number of 1-Naphthyl 3-chlorobenzoate is 109090-11-1.
What is the molecular formula of 1-Naphthyl 3-chlorobenzoate?
The molecular formula of 1-Naphthyl 3-chlorobenzoate is C17H11ClO2.
What is the molecular weight of 1-Naphthyl 3-chlorobenzoate?
The molecular weight of 1-Naphthyl 3-chlorobenzoate is 282.04 g/mol.
Where can I buy 1-Naphthyl 3-chlorobenzoate?
You can request a quote for 1-Naphthyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.