1-Tert-butyl-3-iodobenzene
TL;DR: 1-Tert-butyl-3-iodobenzene (CAS 19099-56-0) is a chemical compound with molecular formula C10H13I and molecular weight 260.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-iodobenzene
Also Known As: 1-tert-butyl-3-iodobenzene, 1-iodo-3-tert-butylbenzene, 1-(tert-butyl)-3-iodobenzene, 3-(tert-butyl)iodobenzene, 1-tert-butyl-3-iodo-benzene
| Molecular Formula | C10H13I |
|---|---|
| Molecular Weight | 260.01 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0062 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 19099-56-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC=C1)I |
| InChIKey | DZOSRDFXDIXEEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Tert-butyl-3-iodobenzene (CAS 19099-56-0), with molecular formula C10H13I and molecular weight 260.01 g/mol. IUPAC: 1-tert-butyl-3-iodobenzene.
Chemical Property Profile of 1-Tert-butyl-3-iodobenzene
Property Insights of 1-Tert-butyl-3-iodobenzene
The XLogP value of 4.2 indicates that 1-Tert-butyl-3-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-Tert-butyl-3-iodobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3-iodobenzene 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 1-Tert-butyl-3-iodobenzene?
The CAS number of 1-Tert-butyl-3-iodobenzene is 19099-56-0.
What is the molecular formula of 1-Tert-butyl-3-iodobenzene?
The molecular formula of 1-Tert-butyl-3-iodobenzene is C10H13I.
What is the molecular weight of 1-Tert-butyl-3-iodobenzene?
The molecular weight of 1-Tert-butyl-3-iodobenzene is 260.01 g/mol.
Where can I buy 1-Tert-butyl-3-iodobenzene?
You can request a quote for 1-Tert-butyl-3-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-butyl-3-iodobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-iodobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.