Chloro-4-(1,1-dimethylethyl)phenol acetate
TL;DR: Chloro-4-(1,1-dimethylethyl)phenol acetate (CAS 55059-18-2) is a chemical compound with molecular formula C12H15ClO2 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butyl-2-chlorophenyl) acetate
Also Known As: 4-tert-butyl-2-chlorophenyl acetate, (4-tert-butyl-2-chlorophenyl) acetate, Chloro-4-(1,1-dimethylethyl)phenol acetate
| Molecular Formula | C12H15ClO2 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.07605 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 55059-18-2 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C(C)(C)C)Cl |
| InChIKey | YCVLHKDJFKPNGH-UHFFFAOYSA-N |
Product Overview
Chloro-4-(1,1-dimethylethyl)phenol acetate (CAS 55059-18-2), with molecular formula C12H15ClO2 and molecular weight 226.08 g/mol. IUPAC: (4-tert-butyl-2-chlorophenyl) acetate.
Chemical Property Profile of Chloro-4-(1,1-dimethylethyl)phenol acetate
Property Insights of Chloro-4-(1,1-dimethylethyl)phenol acetate
The XLogP value of 3.9 indicates that Chloro-4-(1,1-dimethylethyl)phenol 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, Chloro-4-(1,1-dimethylethyl)phenol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloro-4-(1,1-dimethylethyl)phenol 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 Chloro-4-(1,1-dimethylethyl)phenol acetate?
The CAS number of Chloro-4-(1,1-dimethylethyl)phenol acetate is 55059-18-2.
What is the molecular formula of Chloro-4-(1,1-dimethylethyl)phenol acetate?
The molecular formula of Chloro-4-(1,1-dimethylethyl)phenol acetate is C12H15ClO2.
What is the molecular weight of Chloro-4-(1,1-dimethylethyl)phenol acetate?
The molecular weight of Chloro-4-(1,1-dimethylethyl)phenol acetate is 226.08 g/mol.
Where can I buy Chloro-4-(1,1-dimethylethyl)phenol acetate?
You can request a quote for Chloro-4-(1,1-dimethylethyl)phenol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloro-4-(1,1-dimethylethyl)phenol acetate?
Yes, KEHONG BIO provides custom synthesis services for Chloro-4-(1,1-dimethylethyl)phenol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.