1,3,5-Trineopentyl-2-iodobenzene
TL;DR: 1,3,5-Trineopentyl-2-iodobenzene (CAS 25347-04-0) is a chemical compound with molecular formula C21H35I and molecular weight 414.18 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)-2-iodobenzene
Also Known As: 1,3,5-Trineopentyl-2-iodobenzene, Benzene, 2-iodo-1,3,5-trineopentyl-, 2-Iodo-1,3,5-trineopentylbenzene, 1,3,5-tris(2,2-dimethylpropyl)-2-iodobenzene, Benzene, 1,3,5-tris(2,2-dimethylpropyl)-2-iodo-
| Molecular Formula | C21H35I |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.17834 |
| Heavy Atoms | 22 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 25347-04-0 |
|---|---|
| SMILES | CC(C)(C)CC1=CC(=C(C(=C1)CC(C)(C)C)I)CC(C)(C)C |
| InChIKey | QNJSSTJXIKNVHK-UHFFFAOYSA-N |
Product Overview
1,3,5-Trineopentyl-2-iodobenzene (CAS 25347-04-0), with molecular formula C21H35I and molecular weight 414.18 g/mol. IUPAC: 1,3,5-tris(2,2-dimethylpropyl)-2-iodobenzene.
Chemical Property Profile of 1,3,5-Trineopentyl-2-iodobenzene
Property Insights of 1,3,5-Trineopentyl-2-iodobenzene
The XLogP value of 8.5 indicates that 1,3,5-Trineopentyl-2-iodobenzene 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-Trineopentyl-2-iodobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Trineopentyl-2-iodobenzene 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-Trineopentyl-2-iodobenzene?
The CAS number of 1,3,5-Trineopentyl-2-iodobenzene is 25347-04-0.
What is the molecular formula of 1,3,5-Trineopentyl-2-iodobenzene?
The molecular formula of 1,3,5-Trineopentyl-2-iodobenzene is C21H35I.
What is the molecular weight of 1,3,5-Trineopentyl-2-iodobenzene?
The molecular weight of 1,3,5-Trineopentyl-2-iodobenzene is 414.18 g/mol.
Where can I buy 1,3,5-Trineopentyl-2-iodobenzene?
You can request a quote for 1,3,5-Trineopentyl-2-iodobenzene 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-Trineopentyl-2-iodobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Trineopentyl-2-iodobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.