2-Iodo-4-methyl-1,3,5-trineopentylbenzene
TL;DR: 2-Iodo-4-methyl-1,3,5-trineopentylbenzene (CAS 41080-91-5) is a chemical compound with molecular formula C22H37I and molecular weight 428.19 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-iodo-4-methylbenzene
Also Known As: 2-Iodo-4-methyl-1,3,5-trineopentylbenzene, 1,3,5-tris(2,2-dimethylpropyl)-2-iodo-4-methylbenzene, 2-Iodo-4-methyl-1,3,5-trineopentylbenzene #, Benzene, 1,3,5-tris(2,2-dimethylpropyl)-2-iodo-4-methyl-, RefChem:262197
| Molecular Formula | C22H37I |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.194 |
| Heavy Atoms | 23 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 41080-91-5 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1CC(C)(C)C)CC(C)(C)C)I)CC(C)(C)C |
| InChIKey | USTXXEHEEGDJAG-UHFFFAOYSA-N |
Product Overview
2-Iodo-4-methyl-1,3,5-trineopentylbenzene (CAS 41080-91-5), with molecular formula C22H37I and molecular weight 428.19 g/mol. IUPAC: 1,3,5-tris(2,2-dimethylpropyl)-2-iodo-4-methylbenzene.
Chemical Property Profile of 2-Iodo-4-methyl-1,3,5-trineopentylbenzene
Property Insights of 2-Iodo-4-methyl-1,3,5-trineopentylbenzene
The XLogP value of 8.9 indicates that 2-Iodo-4-methyl-1,3,5-trineopentylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Iodo-4-methyl-1,3,5-trineopentylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodo-4-methyl-1,3,5-trineopentylbenzene 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 2-Iodo-4-methyl-1,3,5-trineopentylbenzene?
The CAS number of 2-Iodo-4-methyl-1,3,5-trineopentylbenzene is 41080-91-5.
What is the molecular formula of 2-Iodo-4-methyl-1,3,5-trineopentylbenzene?
The molecular formula of 2-Iodo-4-methyl-1,3,5-trineopentylbenzene is C22H37I.
What is the molecular weight of 2-Iodo-4-methyl-1,3,5-trineopentylbenzene?
The molecular weight of 2-Iodo-4-methyl-1,3,5-trineopentylbenzene is 428.19 g/mol.
Where can I buy 2-Iodo-4-methyl-1,3,5-trineopentylbenzene?
You can request a quote for 2-Iodo-4-methyl-1,3,5-trineopentylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodo-4-methyl-1,3,5-trineopentylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodo-4-methyl-1,3,5-trineopentylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.