3-(tert-Butyl)-1-methylnaphthalene
TL;DR: 3-(tert-Butyl)-1-methylnaphthalene (CAS 883-80-7) is a chemical compound with molecular formula C15H18 and molecular weight 198.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-1-methylnaphthalene
Also Known As: 3-tert-butyl-1-methylnaphthalene, 3-(tert-Butyl)-1-methylnaphthalene, Naphthalene, 3-tert-butyl-1-methyl-, 3-(1,1-Dimethylethyl)-1-methylnaphthalene, Naphthalene, 3-(1,1-dimethylethyl)-1-methyl-
| Molecular Formula | C15H18 |
|---|---|
| Molecular Weight | 198.14 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.14085 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 883-80-7 |
|---|---|
| SMILES | CC1=CC(=CC2=CC=CC=C12)C(C)(C)C |
| InChIKey | IRMNGEAZYAGNMC-UHFFFAOYSA-N |
Product Overview
3-(tert-Butyl)-1-methylnaphthalene (CAS 883-80-7), with molecular formula C15H18 and molecular weight 198.14 g/mol. IUPAC: 3-tert-butyl-1-methylnaphthalene.
Chemical Property Profile of 3-(tert-Butyl)-1-methylnaphthalene
Property Insights of 3-(tert-Butyl)-1-methylnaphthalene
The XLogP value of 5.7 indicates that 3-(tert-Butyl)-1-methylnaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-(tert-Butyl)-1-methylnaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(tert-Butyl)-1-methylnaphthalene 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 3-(tert-Butyl)-1-methylnaphthalene?
The CAS number of 3-(tert-Butyl)-1-methylnaphthalene is 883-80-7.
What is the molecular formula of 3-(tert-Butyl)-1-methylnaphthalene?
The molecular formula of 3-(tert-Butyl)-1-methylnaphthalene is C15H18.
What is the molecular weight of 3-(tert-Butyl)-1-methylnaphthalene?
The molecular weight of 3-(tert-Butyl)-1-methylnaphthalene is 198.14 g/mol.
Where can I buy 3-(tert-Butyl)-1-methylnaphthalene?
You can request a quote for 3-(tert-Butyl)-1-methylnaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(tert-Butyl)-1-methylnaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 3-(tert-Butyl)-1-methylnaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.