Isopropyl caprate
TL;DR: Isopropyl caprate (CAS 2311-59-3) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl decanoate
Also Known As: ISOPROPYL DECANOATE, Isopropyl caprate, propan-2-yl decanoate, isopropyl n-decanoate, n-Capric acid isopropyl ester
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 2311-59-3 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OC(C)C |
| InChIKey | PKPPDYGHKDIKBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl caprate (CAS 2311-59-3), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: propan-2-yl decanoate.
Chemical Property Profile of Isopropyl caprate
Property Insights of Isopropyl caprate
The XLogP value of 5.0 indicates that Isopropyl caprate 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 caprate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl caprate has 0 hydrogen bond donor(s) and 2 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 Isopropyl caprate?
The CAS number of Isopropyl caprate is 2311-59-3.
What is the molecular formula of Isopropyl caprate?
The molecular formula of Isopropyl caprate is C13H26O2.
What is the molecular weight of Isopropyl caprate?
The molecular weight of Isopropyl caprate is 214.19 g/mol.
Where can I buy Isopropyl caprate?
You can request a quote for Isopropyl caprate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl caprate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl caprate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.