1-Phenyl-3-acetoxybutane
TL;DR: 1-Phenyl-3-acetoxybutane (CAS 10415-88-0) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylbutan-2-yl acetate
Also Known As: 4-Phenyl-2-butyl acetate, 4-phenylbutan-2-yl acetate, 1-Phenyl-3-acetoxybutane, 4-Phenyl-2-butanol acetate, 2-Butanol, 4-phenyl-, acetate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
| Density | 0.975-0.980 |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Refractive Index | 1.498-1.505 |
Chemical Identifiers
| CAS Number | 10415-88-0 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)OC(=O)C |
| InChIKey | IVEWTAOGAGBQGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-acetoxybutane (CAS 10415-88-0), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 4-phenylbutan-2-yl acetate.
Chemical Property Profile of 1-Phenyl-3-acetoxybutane
Property Insights of 1-Phenyl-3-acetoxybutane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-acetoxybutane. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Phenyl-3-acetoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-acetoxybutane 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 1-Phenyl-3-acetoxybutane?
The CAS number of 1-Phenyl-3-acetoxybutane is 10415-88-0.
What is the molecular formula of 1-Phenyl-3-acetoxybutane?
The molecular formula of 1-Phenyl-3-acetoxybutane is C12H16O2.
What is the molecular weight of 1-Phenyl-3-acetoxybutane?
The molecular weight of 1-Phenyl-3-acetoxybutane is 192.12 g/mol.
Where can I buy 1-Phenyl-3-acetoxybutane?
You can request a quote for 1-Phenyl-3-acetoxybutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-acetoxybutane?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-acetoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.