Isobutyl iodide
TL;DR: Isobutyl iodide (CAS 513-38-2) is a chemical compound with molecular formula C4H9I and molecular weight 183.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-2-methylpropane
Also Known As: Isobutyl iodide, 1-IODO-2-METHYLPROPANE, Isobutyljodid, isobutyliodide, Propane, 1-iodo-2-methyl-
| Molecular Formula | C4H9I |
|---|---|
| Molecular Weight | 183.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.9749 |
| Heavy Atoms | 5 |
| Complexity | 17.0 |
Chemical Identifiers
| CAS Number | 513-38-2 |
|---|---|
| SMILES | CC(C)CI |
| InChIKey | BTUGGGLMQBJCBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl iodide (CAS 513-38-2), with molecular formula C4H9I and molecular weight 183.97 g/mol. IUPAC: 1-iodo-2-methylpropane.
Chemical Property Profile of Isobutyl iodide
Property Insights of Isobutyl iodide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl iodide. With a topological polar surface area (TPSA) of 0.0 Ų, Isobutyl iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl iodide 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 Isobutyl iodide?
The CAS number of Isobutyl iodide is 513-38-2.
What is the molecular formula of Isobutyl iodide?
The molecular formula of Isobutyl iodide is C4H9I.
What is the molecular weight of Isobutyl iodide?
The molecular weight of Isobutyl iodide is 183.97 g/mol.
Where can I buy Isobutyl iodide?
You can request a quote for Isobutyl iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl iodide?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.