Acetic acid, isotridecyl ester
TL;DR: Acetic acid, isotridecyl ester (CAS 69103-23-7) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyldodecyl acetate
Also Known As: 11-methyldodecyl acetate, Isotridecyl acetate, Acetic acid, isotridecyl ester, ISO-TRIDECYL-ACETATE, Aceticacid,isotridecylester
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 69103-23-7 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCOC(=O)C |
| InChIKey | HBNFJAUKNDPDBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, isotridecyl ester (CAS 69103-23-7), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: 11-methyldodecyl acetate.
Chemical Property Profile of Acetic acid, isotridecyl ester
Property Insights of Acetic acid, isotridecyl ester
The XLogP value of 5.8 indicates that Acetic acid, isotridecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, isotridecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, isotridecyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, isotridecyl ester?
The CAS number of Acetic acid, isotridecyl ester is 69103-23-7.
What is the molecular formula of Acetic acid, isotridecyl ester?
The molecular formula of Acetic acid, isotridecyl ester is C15H30O2.
What is the molecular weight of Acetic acid, isotridecyl ester?
The molecular weight of Acetic acid, isotridecyl ester is 242.22 g/mol.
Where can I buy Acetic acid, isotridecyl ester?
You can request a quote for Acetic acid, isotridecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, isotridecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, isotridecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.