1-Phenoxypropan-2-yl acetate
TL;DR: 1-Phenoxypropan-2-yl acetate (CAS 62500-89-4) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenoxypropan-2-yl acetate
Also Known As: 1-phenoxypropan-2-yl acetate, Phenoxyisopropanyl acetate, 2-Acetoxy-1-phenoxypropan, 1-phenoxy-2-propyl acetate, 2-Phenoxy-1-methylethyl acetate
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 62500-89-4 |
|---|---|
| SMILES | CC(COC1=CC=CC=C1)OC(=O)C |
| InChIKey | QWWTXMUURQLKOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenoxypropan-2-yl acetate (CAS 62500-89-4), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 1-phenoxypropan-2-yl acetate.
Chemical Property Profile of 1-Phenoxypropan-2-yl acetate
Property Insights of 1-Phenoxypropan-2-yl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenoxypropan-2-yl acetate. With a topological polar surface area (TPSA) of 35.5 Ų, 1-Phenoxypropan-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenoxypropan-2-yl 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 1-Phenoxypropan-2-yl acetate?
The CAS number of 1-Phenoxypropan-2-yl acetate is 62500-89-4.
What is the molecular formula of 1-Phenoxypropan-2-yl acetate?
The molecular formula of 1-Phenoxypropan-2-yl acetate is C11H14O3.
What is the molecular weight of 1-Phenoxypropan-2-yl acetate?
The molecular weight of 1-Phenoxypropan-2-yl acetate is 194.09 g/mol.
Where can I buy 1-Phenoxypropan-2-yl acetate?
You can request a quote for 1-Phenoxypropan-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenoxypropan-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenoxypropan-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.