1-Naphthalenol, 1-benzoate
TL;DR: 1-Naphthalenol, 1-benzoate (CAS 607-55-6) is a chemical compound with molecular formula C17H12O2 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl benzoate
Also Known As: 1-Naphthyl benzoate, naphthalen-1-yl benzoate, 1-Naphthalenol, benzoate, Naphthylbenzoat, 1-Naphthol, benzoate
| Molecular Formula | C17H12O2 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.08372 |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 607-55-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=CC3=CC=CC=C32 |
| InChIKey | KZWCTFLBFSWYHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Naphthalenol, 1-benzoate (CAS 607-55-6), with molecular formula C17H12O2 and molecular weight 248.08 g/mol. IUPAC: naphthalen-1-yl benzoate.
Chemical Property Profile of 1-Naphthalenol, 1-benzoate
Property Insights of 1-Naphthalenol, 1-benzoate
The XLogP value of 4.4 indicates that 1-Naphthalenol, 1-benzoate 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-Naphthalenol, 1-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenol, 1-benzoate 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-Naphthalenol, 1-benzoate?
The CAS number of 1-Naphthalenol, 1-benzoate is 607-55-6.
What is the molecular formula of 1-Naphthalenol, 1-benzoate?
The molecular formula of 1-Naphthalenol, 1-benzoate is C17H12O2.
What is the molecular weight of 1-Naphthalenol, 1-benzoate?
The molecular weight of 1-Naphthalenol, 1-benzoate is 248.08 g/mol.
Where can I buy 1-Naphthalenol, 1-benzoate?
You can request a quote for 1-Naphthalenol, 1-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthalenol, 1-benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenol, 1-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.