Isobutyl iodide
TL;DR: Isobutyl iodide (CAS 513-38-2) is a chemical compound with molecular formula C4H9I and molecular weight 183.9749 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
异丁基碘
1-iodo-2-methylpropane
Also Known As: Isobutyl iodide, 1-IODO-2-METHYLPROPANE, Isobutyljodid, isobutyliodide, Propane, 1-iodo-2-methyl-
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H9I |
| Molecular Weight | 183.9749 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.9749 Da |
| Heavy Atoms | 5 |
| Complexity | 17.0 |
| SMILES | CC(C)CI |
| InChIKey | BTUGGGLMQBJCBN-UHFFFAOYSA-N |
Product Description
Applications: Isobutyl iodide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Isobutyl iodide (CAS 513-38-2) is a heterocyclic building block with the molecular formula C4H9I and a molecular weight of 183.97 g/mol. Synonyms include Isobutyl iodide and 1-IODO-2-METHYLPROPANE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 183.9749 g/mol.
What are the applications of Isobutyl iodide?
Isobutyl iodide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Isobutyl iodide?
You can request a quote for Isobutyl iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl iodide?
Yes, CoreyChem provides custom synthesis services for Isobutyl iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.