Isobutamben
TL;DR: Isobutamben (CAS 94-14-4) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl 4-aminobenzoate
Also Known As: Isobutamben, Isobutyl 4-aminobenzoate, Isocaine, Cycloform, Benzamelid
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.11028 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.11028 Da |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
| SMILES | CC(C)COC(=O)C1=CC=C(C=C1)N |
| InChIKey | PUYOAVGNCWPANW-UHFFFAOYSA-N |
Product Description
Applications: Isobutamben is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutamben (CAS 94-14-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isobutamben is a pharmaceutical intermediate identified by CAS number 94-14-4 and the molecular formula C11H15NO2 and a molecular weight of 193.11 g/mol. It is also known as Isobutamben and Isobutyl 4-aminobenzoate.
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 Isobutamben
Property Insights of Isobutamben
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutamben. With a topological polar surface area (TPSA) of 52.3 Ų, Isobutamben exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutamben has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isobutamben?
The CAS number of Isobutamben is 94-14-4.
What is the molecular formula of Isobutamben?
The molecular formula of Isobutamben is C11H15NO2.
What is the molecular weight of Isobutamben?
The molecular weight of Isobutamben is 193.11028 g/mol.
What are the applications of Isobutamben?
Isobutamben is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutamben (CAS 94-14-4) with custom...
Where can I buy Isobutamben?
You can request a quote for Isobutamben directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutamben?
Yes, CoreyChem provides custom synthesis services for Isobutamben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.