Benzeneethanol, alpha-butyl-, 1-acetate
TL;DR: Benzeneethanol, alpha-butyl-, 1-acetate (CAS 17199-38-1) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylhexan-2-yl acetate
Also Known As: alpha-Butylphenethyl acetate, 1-phenylhexan-2-yl acetate, Benzeneethanol, alpha-butyl-, acetate, alpha-Butylbenzeneethanol acetate, benzeneethanol,
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 17199-38-1 |
|---|---|
| SMILES | CCCCC(CC1=CC=CC=C1)OC(=O)C |
| InChIKey | VBVKRNQURKLZNX-UHFFFAOYSA-N |
Product Overview
Benzeneethanol, alpha-butyl-, 1-acetate (CAS 17199-38-1), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 1-phenylhexan-2-yl acetate.
Chemical Property Profile of Benzeneethanol, alpha-butyl-, 1-acetate
Property Insights of Benzeneethanol, alpha-butyl-, 1-acetate
The XLogP value of 3.9 indicates that Benzeneethanol, alpha-butyl-, 1-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, Benzeneethanol, alpha-butyl-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanol, alpha-butyl-, 1-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 Benzeneethanol, alpha-butyl-, 1-acetate?
The CAS number of Benzeneethanol, alpha-butyl-, 1-acetate is 17199-38-1.
What is the molecular formula of Benzeneethanol, alpha-butyl-, 1-acetate?
The molecular formula of Benzeneethanol, alpha-butyl-, 1-acetate is C14H20O2.
What is the molecular weight of Benzeneethanol, alpha-butyl-, 1-acetate?
The molecular weight of Benzeneethanol, alpha-butyl-, 1-acetate is 220.15 g/mol.
Where can I buy Benzeneethanol, alpha-butyl-, 1-acetate?
You can request a quote for Benzeneethanol, alpha-butyl-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanol, alpha-butyl-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanol, alpha-butyl-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.