1-Naphthylmethyl acetate
TL;DR: 1-Naphthylmethyl acetate (CAS 13098-88-9) is a chemical compound with molecular formula C13H12O2 and molecular weight 200.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-ylmethyl acetate
Also Known As: 1-naphthylmethyl acetate, 1-Naphthalenemethanol, acetate, naphthalen-1-ylmethyl acetate, 1-naphthylmethylacetate, (naphthalen-1-yl)methyl acetate
| Molecular Formula | C13H12O2 |
|---|---|
| Molecular Weight | 200.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.08372 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 13098-88-9 |
|---|---|
| SMILES | CC(=O)OCC1=CC=CC2=CC=CC=C21 |
| InChIKey | DLZJIFRRPVEMAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Naphthylmethyl acetate (CAS 13098-88-9), with molecular formula C13H12O2 and molecular weight 200.08 g/mol. IUPAC: naphthalen-1-ylmethyl acetate.
Chemical Property Profile of 1-Naphthylmethyl acetate
Property Insights of 1-Naphthylmethyl acetate
The XLogP value of 3.0 indicates that 1-Naphthylmethyl acetate 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-Naphthylmethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthylmethyl 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-Naphthylmethyl acetate?
The CAS number of 1-Naphthylmethyl acetate is 13098-88-9.
What is the molecular formula of 1-Naphthylmethyl acetate?
The molecular formula of 1-Naphthylmethyl acetate is C13H12O2.
What is the molecular weight of 1-Naphthylmethyl acetate?
The molecular weight of 1-Naphthylmethyl acetate is 200.08 g/mol.
Where can I buy 1-Naphthylmethyl acetate?
You can request a quote for 1-Naphthylmethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthylmethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthylmethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.