Isobutyl anthranilate
TL;DR: Isobutyl anthranilate (CAS 7779-77-3) 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 2-aminobenzoate
Also Known As: ISOBUTYL ANTHRANILATE, Isobutyl 2-aminobenzoate, 2-Methylpropyl 2-aminobenzoate, Isobutyl O-aminobenzoate, Isobutylanthranilate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 3.5 |
| 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 | 192.0 |
| Boiling Point | 313 to 157.2 °C at 13.5 mmHg |
| Density | 1.057-1.063 |
| Solubility | Insoluble (NTP, 1992) |
| Refractive Index | 1.534-1.540 |
Chemical Identifiers
| CAS Number | 7779-77-3 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=CC=C1N |
| InChIKey | ILCLJQFCMRCPNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl anthranilate (CAS 7779-77-3), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: 2-methylpropyl 2-aminobenzoate.
Chemical Property Profile of Isobutyl anthranilate
Property Insights of Isobutyl anthranilate
The XLogP value of 3.5 indicates that Isobutyl anthranilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Isobutyl anthranilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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
Frequently Asked Questions
What is the CAS number of Isobutyl anthranilate?
The CAS number of Isobutyl anthranilate is 7779-77-3.
What is the molecular formula of Isobutyl anthranilate?
The molecular formula of Isobutyl anthranilate is C11H15NO2.
What is the molecular weight of Isobutyl anthranilate?
The molecular weight of Isobutyl anthranilate is 193.11 g/mol.
Where can I buy Isobutyl anthranilate?
You can request a quote for Isobutyl anthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl anthranilate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl anthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.