3,5,5-Trimethylhexyl phenylacetate
TL;DR: 3,5,5-Trimethylhexyl phenylacetate (CAS 93805-70-0) is a chemical compound with molecular formula C17H26O2 and molecular weight 262.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethylhexyl 2-phenylacetate
Also Known As: 3,5,5-Trimethylhexyl phenylacetate, EINECS 298-553-8, 3,5,5-trimethylhexyl 2-phenylacetate, Benzeneacetic acid 3,5,5-trimethylhexyl ester, Benzeneacetic acid, 3,5,5-trimethylhexyl ester
| Molecular Formula | C17H26O2 |
|---|---|
| Molecular Weight | 262.19 g/mol |
| LogP | 4.2347 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.19327 |
| Heavy Atoms | 19 |
| Complexity | 375.99857 |
Chemical Identifiers
| CAS Number | 93805-70-0 |
|---|---|
| SMILES | CC(CCOC(=O)CC1=CC=CC=C1)CC(C)(C)C |
Product Overview
3,5,5-Trimethylhexyl phenylacetate (CAS 93805-70-0), with molecular formula C17H26O2 and molecular weight 262.19 g/mol. IUPAC: 3,5,5-trimethylhexyl 2-phenylacetate.
Chemical Property Profile of 3,5,5-Trimethylhexyl phenylacetate
Property Insights of 3,5,5-Trimethylhexyl phenylacetate
The XLogP value of 4.2347 indicates that 3,5,5-Trimethylhexyl phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,5,5-Trimethylhexyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethylhexyl phenylacetate 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 3,5,5-Trimethylhexyl phenylacetate?
The CAS number of 3,5,5-Trimethylhexyl phenylacetate is 93805-70-0.
What is the molecular formula of 3,5,5-Trimethylhexyl phenylacetate?
The molecular formula of 3,5,5-Trimethylhexyl phenylacetate is C17H26O2.
What is the molecular weight of 3,5,5-Trimethylhexyl phenylacetate?
The molecular weight of 3,5,5-Trimethylhexyl phenylacetate is 262.19 g/mol.
Where can I buy 3,5,5-Trimethylhexyl phenylacetate?
You can request a quote for 3,5,5-Trimethylhexyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethylhexyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethylhexyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.