2-Propanol, 1-(1-methylethoxy)-, 2-acetate
TL;DR: 2-Propanol, 1-(1-methylethoxy)-, 2-acetate (CAS 54839-25-7) 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.
1-propan-2-yloxypropan-2-yl acetate
Also Known As: 2-(Isopropyloxy)-1-methylethyl acetate, 1-propan-2-yloxypropan-2-yl acetate, 1-Isopropyloxy-2-propanol acetate, 2-Propanol, 1-(1-methylethoxy)-, acetate, 2-Propanol, 1-(1-methylethoxy)-, 2-acetate
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.2 |
| 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 | 121.0 |
Chemical Identifiers
| CAS Number | 54839-25-7 |
|---|---|
| SMILES | CC(C)OCC(C)OC(=O)C |
| InChIKey | JQTIDYJFCNWJFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propanol, 1-(1-methylethoxy)-, 2-acetate (CAS 54839-25-7), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: 1-propan-2-yloxypropan-2-yl acetate.
Chemical Property Profile of 2-Propanol, 1-(1-methylethoxy)-, 2-acetate
Property Insights of 2-Propanol, 1-(1-methylethoxy)-, 2-acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanol, 1-(1-methylethoxy)-, 2-acetate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Propanol, 1-(1-methylethoxy)-, 2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1-(1-methylethoxy)-, 2-acetate 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 2-Propanol, 1-(1-methylethoxy)-, 2-acetate?
The CAS number of 2-Propanol, 1-(1-methylethoxy)-, 2-acetate is 54839-25-7.
What is the molecular formula of 2-Propanol, 1-(1-methylethoxy)-, 2-acetate?
The molecular formula of 2-Propanol, 1-(1-methylethoxy)-, 2-acetate is C8H16O3.
What is the molecular weight of 2-Propanol, 1-(1-methylethoxy)-, 2-acetate?
The molecular weight of 2-Propanol, 1-(1-methylethoxy)-, 2-acetate is 160.11 g/mol.
Where can I buy 2-Propanol, 1-(1-methylethoxy)-, 2-acetate?
You can request a quote for 2-Propanol, 1-(1-methylethoxy)-, 2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol, 1-(1-methylethoxy)-, 2-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1-(1-methylethoxy)-, 2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.