1-(Tert-butoxy)-4-iodobenzene
TL;DR: 1-(Tert-butoxy)-4-iodobenzene (CAS 329318-60-7) is a chemical compound with molecular formula C10H13IO and molecular weight 276.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-4-[(2-methylpropan-2-yl)oxy]benzene
Also Known As: 1-(tert-butoxy)-4-iodobenzene, 1-(t-Butoxy)-4-iodobenZene, 1-tert-butoxy-4-iodo-benzene, Benzene, 1-(1,1-dimethylethoxy)-4-iodo-, 1-iodo-4-[(2-methylpropan-2-yl)oxy]benzene
| Molecular Formula | C10H13IO |
|---|---|
| Molecular Weight | 276.00 g/mol |
| LogP | 3.4685 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.0011 |
| Heavy Atoms | 12 |
| Complexity | 245.53624 |
Chemical Identifiers
| CAS Number | 329318-60-7 |
|---|---|
| SMILES | CC(C)(C)OC1=CC=C(C=C1)I |
Product Overview
1-(Tert-butoxy)-4-iodobenzene (CAS 329318-60-7), with molecular formula C10H13IO and molecular weight 276.00 g/mol. IUPAC: 1-iodo-4-[(2-methylpropan-2-yl)oxy]benzene.
Chemical Property Profile of 1-(Tert-butoxy)-4-iodobenzene
Property Insights of 1-(Tert-butoxy)-4-iodobenzene
The XLogP value of 3.4685 indicates that 1-(Tert-butoxy)-4-iodobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 1-(Tert-butoxy)-4-iodobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Tert-butoxy)-4-iodobenzene has 0 hydrogen bond donor(s) and 1 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 1-(Tert-butoxy)-4-iodobenzene?
The CAS number of 1-(Tert-butoxy)-4-iodobenzene is 329318-60-7.
What is the molecular formula of 1-(Tert-butoxy)-4-iodobenzene?
The molecular formula of 1-(Tert-butoxy)-4-iodobenzene is C10H13IO.
What is the molecular weight of 1-(Tert-butoxy)-4-iodobenzene?
The molecular weight of 1-(Tert-butoxy)-4-iodobenzene is 276.00 g/mol.
Where can I buy 1-(Tert-butoxy)-4-iodobenzene?
You can request a quote for 1-(Tert-butoxy)-4-iodobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Tert-butoxy)-4-iodobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Tert-butoxy)-4-iodobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.