1-Naphthyl acetate
TL;DR: 1-Naphthyl acetate (CAS 830-81-9) is a chemical compound with molecular formula C12H10O2 and molecular weight 186.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl acetate
Also Known As: 1-Naphthyl acetate, naphthalen-1-yl acetate, 1-Acetoxynaphthalene, alpha-Naphthyl acetate, a-Naphthyl acetate
| Molecular Formula | C12H10O2 |
|---|---|
| Molecular Weight | 186.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.06808 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
| Vapor Pressure | 0.000761 [mmHg] |
Chemical Identifiers
| CAS Number | 830-81-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC2=CC=CC=C21 |
| InChIKey | VGKONPUVOVVNSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Naphthyl acetate (CAS 830-81-9), with molecular formula C12H10O2 and molecular weight 186.07 g/mol. IUPAC: naphthalen-1-yl acetate.
Chemical Property Profile of 1-Naphthyl acetate
Property Insights of 1-Naphthyl acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Naphthyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Naphthyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthyl acetate 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 acetate?
The CAS number of 1-Naphthyl acetate is 830-81-9.
What is the molecular formula of 1-Naphthyl acetate?
The molecular formula of 1-Naphthyl acetate is C12H10O2.
What is the molecular weight of 1-Naphthyl acetate?
The molecular weight of 1-Naphthyl acetate is 186.07 g/mol.
Where can I buy 1-Naphthyl acetate?
You can request a quote for 1-Naphthyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.