Isobutyl carbamate
TL;DR: Isobutyl carbamate (CAS 543-28-2) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl carbamate
Also Known As: ISOBUTYL CARBAMATE, 2-methylpropyl carbamate, Carbamic acid, 2-methylpropyl ester, Isobutyl=carbamate, O-isobutyl carbamate
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H11NO2 |
| Molecular Weight | 117.07898 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 117.07898 Da |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
| SMILES | CC(C)COC(=O)N |
| InChIKey | BRUZQRBVNRKLJG-UHFFFAOYSA-N |
Product Description
Applications: Isobutyl carbamate 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. CoreyChem supplies Isobutyl carbamate (CAS 543-28-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isobutyl carbamate is a heterocyclic building block identified by CAS number 543-28-2 and the molecular formula C5H11NO2 and a molecular weight of 117.08 g/mol. It is also known as ISOBUTYL CARBAMATE and 2-methylpropyl carbamate.
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 carbamate
Property Insights of Isobutyl carbamate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, Isobutyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl carbamate 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 carbamate?
The CAS number of Isobutyl carbamate is 543-28-2.
What is the molecular formula of Isobutyl carbamate?
The molecular formula of Isobutyl carbamate is C5H11NO2.
What is the molecular weight of Isobutyl carbamate?
The molecular weight of Isobutyl carbamate is 117.07898 g/mol.
What are the applications of Isobutyl carbamate?
Isobutyl carbamate 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. CoreyChem supplies Isobutyl carbamate (CAS 543-28-2)...
Where can I buy Isobutyl carbamate?
You can request a quote for Isobutyl carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl carbamate?
Yes, CoreyChem provides custom synthesis services for Isobutyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.