1-(3-Methylbutyl)-2,3,6-trimethylbenzene
TL;DR: 1-(3-Methylbutyl)-2,3,6-trimethylbenzene (CAS 84651-14-9) is a chemical compound with molecular formula C14H22 and molecular weight 190.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trimethyl-3-(3-methylbutyl)benzene
Also Known As: 1-(3-Methylbutyl)-2,3,6-trimethylbenzene, 2-Isopentyl-1,3,4-trimethylbenzene, 1,2,4-trimethyl-3-(3-methylbutyl)benzene, 2-Isopentyl-1,3,4-trimethylbenzene #, RefChem:224524
| Molecular Formula | C14H22 |
|---|---|
| Molecular Weight | 190.17 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.17215 |
| Heavy Atoms | 14 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 84651-14-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)CCC(C)C)C |
| InChIKey | CBOJILOICAVSDI-UHFFFAOYSA-N |
Product Overview
1-(3-Methylbutyl)-2,3,6-trimethylbenzene (CAS 84651-14-9), with molecular formula C14H22 and molecular weight 190.17 g/mol. IUPAC: 1,2,4-trimethyl-3-(3-methylbutyl)benzene.
Chemical Property Profile of 1-(3-Methylbutyl)-2,3,6-trimethylbenzene
Property Insights of 1-(3-Methylbutyl)-2,3,6-trimethylbenzene
The XLogP value of 5.1 indicates that 1-(3-Methylbutyl)-2,3,6-trimethylbenzene 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-(3-Methylbutyl)-2,3,6-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylbutyl)-2,3,6-trimethylbenzene 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-(3-Methylbutyl)-2,3,6-trimethylbenzene?
The CAS number of 1-(3-Methylbutyl)-2,3,6-trimethylbenzene is 84651-14-9.
What is the molecular formula of 1-(3-Methylbutyl)-2,3,6-trimethylbenzene?
The molecular formula of 1-(3-Methylbutyl)-2,3,6-trimethylbenzene is C14H22.
What is the molecular weight of 1-(3-Methylbutyl)-2,3,6-trimethylbenzene?
The molecular weight of 1-(3-Methylbutyl)-2,3,6-trimethylbenzene is 190.17 g/mol.
Where can I buy 1-(3-Methylbutyl)-2,3,6-trimethylbenzene?
You can request a quote for 1-(3-Methylbutyl)-2,3,6-trimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylbutyl)-2,3,6-trimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylbutyl)-2,3,6-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.