1-Isobutylnaphthalene
TL;DR: 1-Isobutylnaphthalene (CAS 16727-91-6) is a chemical compound with molecular formula C14H16 and molecular weight 184.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpropyl)naphthalene
Also Known As: 1-ISOBUTYLNAPHTHALENE, isobutylnaphthalene, 1-(2-methylpropyl)naphthalene, Naphthalene, 1-isobutyl-, 1-Isobutyl-naphthalin
| Molecular Formula | C14H16 |
|---|---|
| Molecular Weight | 184.13 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.1252 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 16727-91-6 |
|---|---|
| SMILES | CC(C)CC1=CC=CC2=CC=CC=C21 |
| InChIKey | ZYFTVCJVNRKBCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isobutylnaphthalene (CAS 16727-91-6), with molecular formula C14H16 and molecular weight 184.13 g/mol. IUPAC: 1-(2-methylpropyl)naphthalene.
Chemical Property Profile of 1-Isobutylnaphthalene
Property Insights of 1-Isobutylnaphthalene
The XLogP value of 5.2 indicates that 1-Isobutylnaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Isobutylnaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isobutylnaphthalene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Isobutylnaphthalene?
The CAS number of 1-Isobutylnaphthalene is 16727-91-6.
What is the molecular formula of 1-Isobutylnaphthalene?
The molecular formula of 1-Isobutylnaphthalene is C14H16.
What is the molecular weight of 1-Isobutylnaphthalene?
The molecular weight of 1-Isobutylnaphthalene is 184.13 g/mol.
Where can I buy 1-Isobutylnaphthalene?
You can request a quote for 1-Isobutylnaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isobutylnaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isobutylnaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.