1-(1-Naphthalenyl)-1-butanone
TL;DR: 1-(1-Naphthalenyl)-1-butanone (CAS 2876-62-2) is a chemical compound with molecular formula C14H14O and molecular weight 198.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-naphthalen-1-ylbutan-1-one
Also Known As: 1'-BUTYRONAPHTHONE, butyrylnaphthalene, 1-naphthalen-1-ylbutan-1-one, 1 -Butyronaphthone, 1-(NAPHTHALEN-1-YL)BUTAN-1-ONE
| Molecular Formula | C14H14O |
|---|---|
| Molecular Weight | 198.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.10446 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 2876-62-2 |
|---|---|
| SMILES | CCCC(=O)C1=CC=CC2=CC=CC=C21 |
| InChIKey | HHEPNSXKXOXNQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-Naphthalenyl)-1-butanone (CAS 2876-62-2), with molecular formula C14H14O and molecular weight 198.10 g/mol. IUPAC: 1-naphthalen-1-ylbutan-1-one.
Chemical Property Profile of 1-(1-Naphthalenyl)-1-butanone
Property Insights of 1-(1-Naphthalenyl)-1-butanone
The XLogP value of 3.7 indicates that 1-(1-Naphthalenyl)-1-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(1-Naphthalenyl)-1-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Naphthalenyl)-1-butanone has 0 hydrogen bond donor(s) and 1 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-(1-Naphthalenyl)-1-butanone?
The CAS number of 1-(1-Naphthalenyl)-1-butanone is 2876-62-2.
What is the molecular formula of 1-(1-Naphthalenyl)-1-butanone?
The molecular formula of 1-(1-Naphthalenyl)-1-butanone is C14H14O.
What is the molecular weight of 1-(1-Naphthalenyl)-1-butanone?
The molecular weight of 1-(1-Naphthalenyl)-1-butanone is 198.10 g/mol.
Where can I buy 1-(1-Naphthalenyl)-1-butanone?
You can request a quote for 1-(1-Naphthalenyl)-1-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Naphthalenyl)-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Naphthalenyl)-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.