Isopropyl anthranilate
TL;DR: Isopropyl anthranilate (CAS 18189-02-1) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-aminobenzoate
Also Known As: Isopropyl anthranilate, Isopropyl 2-aminobenzoate, propan-2-yl 2-aminobenzoate, iso-propyl anthranilate, 3-Phenyl-1-butanol
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.09464 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 Da |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
| SMILES | CC(C)OC(=O)C1=CC=CC=C1N |
| InChIKey | XKOZHFJYXAQZJX-UHFFFAOYSA-N |
Chemical Property Profile of Isopropyl anthranilate
Property Insights of Isopropyl anthranilate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl anthranilate. With a topological polar surface area (TPSA) of 52.3 Ų, Isopropyl anthranilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl anthranilate 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 Isopropyl anthranilate?
The CAS number of Isopropyl anthranilate is 18189-02-1.
What is the molecular formula of Isopropyl anthranilate?
The molecular formula of Isopropyl anthranilate is C10H13NO2.
What is the molecular weight of Isopropyl anthranilate?
The molecular weight of Isopropyl anthranilate is 179.09464 g/mol.
Where can I buy Isopropyl anthranilate?
You can request a quote for Isopropyl anthranilate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopropyl anthranilate?
Yes, CoreyChem provides custom synthesis services for Isopropyl anthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.