1,3,5-Tri-neopentylbenzene
TL;DR: 1,3,5-Tri-neopentylbenzene (CAS 21411-39-2) is a chemical compound with molecular formula C21H36 and molecular weight 288.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tris(2,2-dimethylpropyl)benzene
Also Known As: 1,3,5-Tri-neopentylbenzene, 1,3,5-trineopentyl-benzene, 1,3,5-tris(2,2-dimethylpropyl)benzene, 1,3,5-Tri(2,2-dimethylpropyl)benzene, RefChem:217203
| Molecular Formula | C21H36 |
|---|---|
| Molecular Weight | 288.28 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.2817 |
| Heavy Atoms | 21 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 21411-39-2 |
|---|---|
| SMILES | CC(C)(C)CC1=CC(=CC(=C1)CC(C)(C)C)CC(C)(C)C |
| InChIKey | ZWSGJJOEFPCZLS-UHFFFAOYSA-N |
Product Overview
1,3,5-Tri-neopentylbenzene (CAS 21411-39-2), with molecular formula C21H36 and molecular weight 288.28 g/mol. IUPAC: 1,3,5-tris(2,2-dimethylpropyl)benzene.
Chemical Property Profile of 1,3,5-Tri-neopentylbenzene
Property Insights of 1,3,5-Tri-neopentylbenzene
The XLogP value of 7.9 indicates that 1,3,5-Tri-neopentylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,5-Tri-neopentylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Tri-neopentylbenzene 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 1,3,5-Tri-neopentylbenzene?
The CAS number of 1,3,5-Tri-neopentylbenzene is 21411-39-2.
What is the molecular formula of 1,3,5-Tri-neopentylbenzene?
The molecular formula of 1,3,5-Tri-neopentylbenzene is C21H36.
What is the molecular weight of 1,3,5-Tri-neopentylbenzene?
The molecular weight of 1,3,5-Tri-neopentylbenzene is 288.28 g/mol.
Where can I buy 1,3,5-Tri-neopentylbenzene?
You can request a quote for 1,3,5-Tri-neopentylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Tri-neopentylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Tri-neopentylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.