Isopropyl isopropoxyacetate
TL;DR: Isopropyl isopropoxyacetate (CAS 17639-74-6) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-propan-2-yloxyacetate
Also Known As: Isopropyl isopropoxyacetate, isopropyl 2-isopropoxyacetate, Iso-propyl iso-propoxyacetate, propan-2-yl 2-propan-2-yloxyacetate, Isopropyl isopropoxyacetate #
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 17639-74-6 |
|---|---|
| SMILES | CC(C)OCC(=O)OC(C)C |
| InChIKey | IPIPONKOIUEBFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl isopropoxyacetate (CAS 17639-74-6), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: propan-2-yl 2-propan-2-yloxyacetate.
Chemical Property Profile of Isopropyl isopropoxyacetate
Property Insights of Isopropyl isopropoxyacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl isopropoxyacetate. With a topological polar surface area (TPSA) of 35.5 Ų, Isopropyl isopropoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl isopropoxyacetate has 0 hydrogen bond donor(s) and 3 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 isopropoxyacetate?
The CAS number of Isopropyl isopropoxyacetate is 17639-74-6.
What is the molecular formula of Isopropyl isopropoxyacetate?
The molecular formula of Isopropyl isopropoxyacetate is C8H16O3.
What is the molecular weight of Isopropyl isopropoxyacetate?
The molecular weight of Isopropyl isopropoxyacetate is 160.11 g/mol.
Where can I buy Isopropyl isopropoxyacetate?
You can request a quote for Isopropyl isopropoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl isopropoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl isopropoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.