5-tert-Butyl-2-iodo-1,3-dimethylbenzene
TL;DR: 5-tert-Butyl-2-iodo-1,3-dimethylbenzene (CAS 5122-20-3) is a chemical compound with molecular formula C12H17I and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-iodo-1,3-dimethylbenzene
Also Known As: 5-tert-butyl-2-iodo-1,3-dimethylbenzene, 5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE, Maybridge4_003980, 5-tert-Butyl-2-iodo-m-xylene, 4-tert-Butyl-2,6-dimethyliodobenzene
| Molecular Formula | C12H17I |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 4.20554 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 288.0375 |
| Heavy Atoms | 13 |
| Complexity | 295.38174 |
Chemical Identifiers
| CAS Number | 5122-20-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1I)C)C(C)(C)C |
Product Overview
5-tert-Butyl-2-iodo-1,3-dimethylbenzene (CAS 5122-20-3), with molecular formula C12H17I and molecular weight 288.04 g/mol. IUPAC: 5-tert-butyl-2-iodo-1,3-dimethylbenzene.
Chemical Property Profile of 5-tert-Butyl-2-iodo-1,3-dimethylbenzene
Property Insights of 5-tert-Butyl-2-iodo-1,3-dimethylbenzene
The XLogP value of 4.20554 indicates that 5-tert-Butyl-2-iodo-1,3-dimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-tert-Butyl-2-iodo-1,3-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-Butyl-2-iodo-1,3-dimethylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-tert-Butyl-2-iodo-1,3-dimethylbenzene?
The CAS number of 5-tert-Butyl-2-iodo-1,3-dimethylbenzene is 5122-20-3.
What is the molecular formula of 5-tert-Butyl-2-iodo-1,3-dimethylbenzene?
The molecular formula of 5-tert-Butyl-2-iodo-1,3-dimethylbenzene is C12H17I.
What is the molecular weight of 5-tert-Butyl-2-iodo-1,3-dimethylbenzene?
The molecular weight of 5-tert-Butyl-2-iodo-1,3-dimethylbenzene is 288.04 g/mol.
Where can I buy 5-tert-Butyl-2-iodo-1,3-dimethylbenzene?
You can request a quote for 5-tert-Butyl-2-iodo-1,3-dimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-Butyl-2-iodo-1,3-dimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butyl-2-iodo-1,3-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.