Allyl anthranilate
TL;DR: Allyl anthranilate (CAS 7493-63-2) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-aminobenzoate
Also Known As: ALLYL ANTHRANILATE, Allyl 2-aminobenzoate, Allyl Anthraniliate, Allyl O-aminobenzoate, 2-Propenyl 2-aminobenzoate
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
| Boiling Point | 105.00 °C. @ 2.00 mm Hg |
| Density | 1.12 |
| Solubility | Insoluble (<1mg/ml) (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
| Refractive Index | 1.569-1.577 |
Chemical Identifiers
| CAS Number | 7493-63-2 |
|---|---|
| SMILES | C=CCOC(=O)C1=CC=CC=C1N |
| InChIKey | UCANFCXAKYMFGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl anthranilate (CAS 7493-63-2), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: prop-2-enyl 2-aminobenzoate.
Chemical Property Profile of Allyl anthranilate
Property Insights of Allyl anthranilate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl anthranilate. With a topological polar surface area (TPSA) of 52.3 Ų, Allyl anthranilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 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 Allyl anthranilate?
The CAS number of Allyl anthranilate is 7493-63-2.
What is the molecular formula of Allyl anthranilate?
The molecular formula of Allyl anthranilate is C10H11NO2.
What is the molecular weight of Allyl anthranilate?
The molecular weight of Allyl anthranilate is 177.08 g/mol.
Where can I buy Allyl anthranilate?
You can request a quote for Allyl anthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl anthranilate?
Yes, KEHONG BIO provides custom synthesis services for Allyl anthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.