3-Phenylbutyl acetate
TL;DR: 3-Phenylbutyl acetate (CAS 46319-71-5) 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.
3-phenylbutyl acetate
Also Known As: 3-Phenylbutyl acetate, 3-Phenyl-1-acetoxybutan, EINECS 256-262-3, (+)-1-acetoxy-3-phenylbutane, Acetic acid 3-phenylbutyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.7433 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 279.63303 |
Chemical Identifiers
| CAS Number | 46319-71-5 |
|---|---|
| SMILES | CC(CCOC(=O)C)C1=CC=CC=C1 |
Product Overview
3-Phenylbutyl acetate (CAS 46319-71-5), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 3-phenylbutyl acetate.
Chemical Property Profile of 3-Phenylbutyl acetate
Property Insights of 3-Phenylbutyl acetate
The XLogP value of 2.7433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylbutyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenylbutyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylbutyl acetate 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 3-Phenylbutyl acetate?
The CAS number of 3-Phenylbutyl acetate is 46319-71-5.
What is the molecular formula of 3-Phenylbutyl acetate?
The molecular formula of 3-Phenylbutyl acetate is C12H16O2.
What is the molecular weight of 3-Phenylbutyl acetate?
The molecular weight of 3-Phenylbutyl acetate is 192.12 g/mol.
Where can I buy 3-Phenylbutyl acetate?
You can request a quote for 3-Phenylbutyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylbutyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylbutyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.