壬酸异丙酯
TL;DR: 壬酸异丙酯 (CAS 28267-32-5) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
壬酸异丙酯
propan-2-yl nonanoate
Also Known As: Isopropyl nonanoate, propan-2-yl nonanoate, Isopropyl nonylate, ISOPROPYL PELARGONATE, Isopropyl nonan-1-oate
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 141.0 |
| Boiling Point | 231.00 to 232.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 28267-32-5 |
|---|---|
| SMILES | CCCCCCCCC(=O)OC(C)C |
| InChIKey | DVFZGWDMFKTMFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
壬酸异丙酯 (CAS 28267-32-5), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: propan-2-yl nonanoate.
Chemical Property Profile of 壬酸异丙酯
Property Insights of 壬酸异丙酯
The XLogP value of 4.5 indicates that 壬酸异丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 壬酸异丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 壬酸异丙酯 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 壬酸异丙酯?
The CAS number of 壬酸异丙酯 is 28267-32-5.
What is the molecular formula of 壬酸异丙酯?
The molecular formula of 壬酸异丙酯 is C12H24O2.
What is the molecular weight of 壬酸异丙酯?
The molecular weight of 壬酸异丙酯 is 200.18 g/mol.
Where can I buy 壬酸异丙酯?
You can request a quote for 壬酸异丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 壬酸异丙酯?
Yes, KEHONG BIO provides custom synthesis services for 壬酸异丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.