Isobutamben
TL;DR: Isobutamben (CAS 94-14-4) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-aminobenzoate
Also Known As: Isobutamben, Isobutyl 4-aminobenzoate, Isocaine, Cycloform, Benzamelid
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 94-14-4 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=C(C=C1)N |
| InChIKey | PUYOAVGNCWPANW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutamben (CAS 94-14-4), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: 2-methylpropyl 4-aminobenzoate.
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
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 193.11 g/mol.
Where can I buy Isobutamben?
You can request a quote for Isobutamben directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutamben?
Yes, KEHONG BIO provides custom synthesis services for Isobutamben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.