p-tert-Amylphenyl acetate
TL;DR: p-tert-Amylphenyl acetate (CAS 6487-60-1) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methylbutan-2-yl)phenyl] acetate
Also Known As: p-tert-Amylphenyl acetate, 4-Tert-amylphenyl acetate, 4-tert-Pentylphenol acetate, [4-(2-methylbutan-2-yl)phenyl] acetate, 4-T-PENTYLPHENYL ACETATE
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 6487-60-1 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)OC(=O)C |
| InChIKey | SLRPYKPCRFYYCV-UHFFFAOYSA-N |
Product Overview
p-tert-Amylphenyl acetate (CAS 6487-60-1), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: [4-(2-methylbutan-2-yl)phenyl] acetate.
Chemical Property Profile of p-tert-Amylphenyl acetate
Property Insights of p-tert-Amylphenyl acetate
The XLogP value of 4.0 indicates that p-tert-Amylphenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, p-tert-Amylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-tert-Amylphenyl 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 p-tert-Amylphenyl acetate?
The CAS number of p-tert-Amylphenyl acetate is 6487-60-1.
What is the molecular formula of p-tert-Amylphenyl acetate?
The molecular formula of p-tert-Amylphenyl acetate is C13H18O2.
What is the molecular weight of p-tert-Amylphenyl acetate?
The molecular weight of p-tert-Amylphenyl acetate is 206.13 g/mol.
Where can I buy p-tert-Amylphenyl acetate?
You can request a quote for p-tert-Amylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-tert-Amylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for p-tert-Amylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.