Butyl 1-naphthoate
TL;DR: Butyl 1-naphthoate (CAS 35266-63-8) is a chemical compound with molecular formula C15H16O2 and molecular weight 228.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl naphthalene-1-carboxylate
Also Known As: butyl 1-naphthoate, butyl naphthalene-1-carboxylate, 1-Naphthoic acid butyl ester, naphthalene-1-carboxylic acid butyl ester, 1-Naphthalenecarboxylic acid butyl ester
| Molecular Formula | C15H16O2 |
|---|---|
| Molecular Weight | 228.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.11504 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 35266-63-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CC2=CC=CC=C21 |
| InChIKey | YCURFOQQPNHZAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 1-naphthoate (CAS 35266-63-8), with molecular formula C15H16O2 and molecular weight 228.12 g/mol. IUPAC: butyl naphthalene-1-carboxylate.
Chemical Property Profile of Butyl 1-naphthoate
Property Insights of Butyl 1-naphthoate
The XLogP value of 4.7 indicates that Butyl 1-naphthoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 1-naphthoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 1-naphthoate 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 Butyl 1-naphthoate?
The CAS number of Butyl 1-naphthoate is 35266-63-8.
What is the molecular formula of Butyl 1-naphthoate?
The molecular formula of Butyl 1-naphthoate is C15H16O2.
What is the molecular weight of Butyl 1-naphthoate?
The molecular weight of Butyl 1-naphthoate is 228.12 g/mol.
Where can I buy Butyl 1-naphthoate?
You can request a quote for Butyl 1-naphthoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 1-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 1-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.