Citronellyl anthranilate
TL;DR: Citronellyl anthranilate (CAS 68555-57-7) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-enyl 2-aminobenzoate
Also Known As: Citronellyl anthranilate, anthranilate, anthranilic acid, 2-aminobenzoate, o-aminobenzoic acid
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 321.0 |
| Boiling Point | 365.00 °C. @ 760.00 mm Hg |
| Density | 1.001-1.007 |
| Solubility | Insoluble in water |
| Refractive Index | 1.531-1.537 |
Chemical Identifiers
| CAS Number | 68555-57-7 |
|---|---|
| SMILES | CC(CCC=C(C)C)CCOC(=O)C1=CC=CC=C1N |
| InChIKey | LSJVFMHIFWWGDY-UHFFFAOYSA-N |
Product Overview
Citronellyl anthranilate (CAS 68555-57-7), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: 3,7-dimethyloct-6-enyl 2-aminobenzoate.
Chemical Property Profile of Citronellyl anthranilate
Property Insights of Citronellyl anthranilate
The XLogP value of 5.9 indicates that Citronellyl 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, Citronellyl anthranilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citronellyl anthranilate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Citronellyl anthranilate?
The CAS number of Citronellyl anthranilate is 68555-57-7.
What is the molecular formula of Citronellyl anthranilate?
The molecular formula of Citronellyl anthranilate is C17H25NO2.
What is the molecular weight of Citronellyl anthranilate?
The molecular weight of Citronellyl anthranilate is 275.19 g/mol.
Where can I buy Citronellyl anthranilate?
You can request a quote for Citronellyl anthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citronellyl anthranilate?
Yes, KEHONG BIO provides custom synthesis services for Citronellyl anthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.