Isopropyl tridecanoate
TL;DR: Isopropyl tridecanoate (CAS 28267-30-3) is a chemical compound with molecular formula C16H32O2 and molecular weight 256.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl tridecanoate
Also Known As: Isopropyl tridecanoate, isopropyltridecanoate, propan-2-yl tridecanoate, 1-METHYLETHYL TRIDECANOATE, Tridecanoic acid 1-methylethyl ester
| Molecular Formula | C16H32O2 |
|---|---|
| Molecular Weight | 256.24 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 256.24023 |
| Heavy Atoms | 18 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 28267-30-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC(=O)OC(C)C |
| InChIKey | CZYGEVQQOCNIML-UHFFFAOYSA-N |
Product Overview
Isopropyl tridecanoate (CAS 28267-30-3), with molecular formula C16H32O2 and molecular weight 256.24 g/mol. IUPAC: propan-2-yl tridecanoate.
Chemical Property Profile of Isopropyl tridecanoate
Property Insights of Isopropyl tridecanoate
The XLogP value of 6.6 indicates that Isopropyl tridecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl tridecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl tridecanoate 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 Isopropyl tridecanoate?
The CAS number of Isopropyl tridecanoate is 28267-30-3.
What is the molecular formula of Isopropyl tridecanoate?
The molecular formula of Isopropyl tridecanoate is C16H32O2.
What is the molecular weight of Isopropyl tridecanoate?
The molecular weight of Isopropyl tridecanoate is 256.24 g/mol.
Where can I buy Isopropyl tridecanoate?
You can request a quote for Isopropyl tridecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl tridecanoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl tridecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.