alpha-Naphthyl butyrate
TL;DR: alpha-Naphthyl butyrate (CAS 3121-70-8) is a chemical compound with molecular formula C14H14O2 and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl butanoate
Also Known As: 1-Naphthyl butyrate, Naphthalen-1-yl butyrate, naphthalen-1-yl butanoate, alpha-Naphthyl butyrate, naphthyl butyrate
| Molecular Formula | C14H14O2 |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.09938 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 3121-70-8 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=CC2=CC=CC=C21 |
| InChIKey | XIVJNRXPRQKFRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Naphthyl butyrate (CAS 3121-70-8), with molecular formula C14H14O2 and molecular weight 214.10 g/mol. IUPAC: naphthalen-1-yl butanoate.
Chemical Property Profile of alpha-Naphthyl butyrate
Property Insights of alpha-Naphthyl butyrate
The XLogP value of 3.6 indicates that alpha-Naphthyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, alpha-Naphthyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Naphthyl butyrate 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 alpha-Naphthyl butyrate?
The CAS number of alpha-Naphthyl butyrate is 3121-70-8.
What is the molecular formula of alpha-Naphthyl butyrate?
The molecular formula of alpha-Naphthyl butyrate is C14H14O2.
What is the molecular weight of alpha-Naphthyl butyrate?
The molecular weight of alpha-Naphthyl butyrate is 214.10 g/mol.
Where can I buy alpha-Naphthyl butyrate?
You can request a quote for alpha-Naphthyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Naphthyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Naphthyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.