Isobutyl urethane
TL;DR: Isobutyl urethane (CAS 539-89-9) is a chemical compound with molecular formula C7H15NO2 and molecular weight 145.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-(2-methylpropyl)carbamate
Also Known As: ISOBUTYL URETHANE, ethyl isobutylcarbamate, Isobutylurethan, Isobutylurethane, N-Isobuthylurethane
Technical Specifications
| Molecular Formula | C7H15NO2 |
| Molecular Weight | 145.11028 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.11028 Da |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
| SMILES | CCOC(=O)NCC(C)C |
| InChIKey | XHQBGKPHDZWOHT-UHFFFAOYSA-N |
Product Description
Applications: Isobutyl urethane is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyl urethane (CAS 539-89-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isobutyl urethane is a fine chemical identified by CAS number 539-89-9 and the molecular formula C7H15NO2 and a molecular weight of 145.11 g/mol. It is also known as ISOBUTYL URETHANE and ethyl isobutylcarbamate.
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 urethane
Property Insights of Isobutyl urethane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl urethane. With a topological polar surface area (TPSA) of 38.3 Ų, Isobutyl urethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl urethane has 1 hydrogen bond donor(s) and 2 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 urethane?
The CAS number of Isobutyl urethane is 539-89-9.
What is the molecular formula of Isobutyl urethane?
The molecular formula of Isobutyl urethane is C7H15NO2.
What is the molecular weight of Isobutyl urethane?
The molecular weight of Isobutyl urethane is 145.11028 g/mol.
What are the applications of Isobutyl urethane?
Isobutyl urethane is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyl urethane (CAS 539-89-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy Isobutyl urethane?
You can request a quote for Isobutyl urethane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl urethane?
Yes, CoreyChem provides custom synthesis services for Isobutyl urethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.