Pentyl anthranilate
TL;DR: Pentyl anthranilate (CAS 30100-15-3) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-aminobenzoate
Also Known As: Pentyl anthranilate, Pentyl 2-aminobenzoate, pentylanthranilate, AMYL ANTHRANILATE, Anthranilic acid amyl
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 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 | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 30100-15-3 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC=CC=C1N |
| InChIKey | JCKCYPSMCQDSHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl anthranilate (CAS 30100-15-3), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: pentyl 2-aminobenzoate.
Chemical Property Profile of Pentyl anthranilate
Property Insights of Pentyl anthranilate
The XLogP value of 4.0 indicates that Pentyl 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, Pentyl anthranilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 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 Pentyl anthranilate?
The CAS number of Pentyl anthranilate is 30100-15-3.
What is the molecular formula of Pentyl anthranilate?
The molecular formula of Pentyl anthranilate is C12H17NO2.
What is the molecular weight of Pentyl anthranilate?
The molecular weight of Pentyl anthranilate is 207.13 g/mol.
Where can I buy Pentyl anthranilate?
You can request a quote for Pentyl anthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl anthranilate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl anthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.