2,4,6-Tri-t-butyl-1-iodobenzene
TL;DR: 2,4,6-Tri-t-butyl-1-iodobenzene (CAS 31039-82-4) is a chemical compound with molecular formula C18H29I and molecular weight 372.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tritert-butyl-2-iodobenzene
Also Known As: 2,4,6-Tri-t-butyl-1-iodobenzene, 1,3,5-tri-tert-butyl-2-iodobenzene, iodo-2,4,6-tri(t-butyl)benzene, 1,3,5-tritert-butyl-2-iodobenzene, Iodobenzene, 2,4,6-tri-tert-butyl-
| Molecular Formula | C18H29I |
|---|---|
| Molecular Weight | 372.13 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.1314 |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 31039-82-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)I)C(C)(C)C |
| InChIKey | NUTILFZRWFXEOL-UHFFFAOYSA-N |
Product Overview
2,4,6-Tri-t-butyl-1-iodobenzene (CAS 31039-82-4), with molecular formula C18H29I and molecular weight 372.13 g/mol. IUPAC: 1,3,5-tritert-butyl-2-iodobenzene.
Chemical Property Profile of 2,4,6-Tri-t-butyl-1-iodobenzene
Property Insights of 2,4,6-Tri-t-butyl-1-iodobenzene
The XLogP value of 7.6 indicates that 2,4,6-Tri-t-butyl-1-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, 2,4,6-Tri-t-butyl-1-iodobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tri-t-butyl-1-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 2,4,6-Tri-t-butyl-1-iodobenzene?
The CAS number of 2,4,6-Tri-t-butyl-1-iodobenzene is 31039-82-4.
What is the molecular formula of 2,4,6-Tri-t-butyl-1-iodobenzene?
The molecular formula of 2,4,6-Tri-t-butyl-1-iodobenzene is C18H29I.
What is the molecular weight of 2,4,6-Tri-t-butyl-1-iodobenzene?
The molecular weight of 2,4,6-Tri-t-butyl-1-iodobenzene is 372.13 g/mol.
Where can I buy 2,4,6-Tri-t-butyl-1-iodobenzene?
You can request a quote for 2,4,6-Tri-t-butyl-1-iodobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Tri-t-butyl-1-iodobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tri-t-butyl-1-iodobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.