Hex-3-enyl 2-aminobenzoate
TL;DR: Hex-3-enyl 2-aminobenzoate (CAS 65405-76-7) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-enyl 2-aminobenzoate
Also Known As: cis-3-Hexenyl anthranilate, hex-3-enyl 2-aminobenzoate, (Z)-3-Hexenyl anthranilate, 3-Hexen-1-yl 2-aminobenzoate, Hex-3-en-1-yl 2-aminobenzoate
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 65405-76-7 |
|---|---|
| SMILES | CCC=CCCOC(=O)C1=CC=CC=C1N |
| InChIKey | VZWCCPAVZNSCEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hex-3-enyl 2-aminobenzoate (CAS 65405-76-7), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: hex-3-enyl 2-aminobenzoate.
Chemical Property Profile of Hex-3-enyl 2-aminobenzoate
Property Insights of Hex-3-enyl 2-aminobenzoate
The XLogP value of 4.0 indicates that Hex-3-enyl 2-aminobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Hex-3-enyl 2-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-3-enyl 2-aminobenzoate 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 Hex-3-enyl 2-aminobenzoate?
The CAS number of Hex-3-enyl 2-aminobenzoate is 65405-76-7.
What is the molecular formula of Hex-3-enyl 2-aminobenzoate?
The molecular formula of Hex-3-enyl 2-aminobenzoate is C13H17NO2.
What is the molecular weight of Hex-3-enyl 2-aminobenzoate?
The molecular weight of Hex-3-enyl 2-aminobenzoate is 219.13 g/mol.
Where can I buy Hex-3-enyl 2-aminobenzoate?
You can request a quote for Hex-3-enyl 2-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-3-enyl 2-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Hex-3-enyl 2-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.