(2-Acetyloxy-4-tert-butylphenyl) acetate
TL;DR: (2-Acetyloxy-4-tert-butylphenyl) acetate (CAS 80869-94-9) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-4-tert-butylphenyl) acetate
Also Known As: 4-tert-Butylcatechol, diacetate, (2-acetyloxy-4-tert-butylphenyl) acetate, 4-t-butyl-o-phenylene diacetate, 4-tert-Butyl-O-phenylene diacetate, NBDHUKNVZPIOEW-UHFFFAOYSA-
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 80869-94-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C(C)(C)C)OC(=O)C |
| InChIKey | NBDHUKNVZPIOEW-UHFFFAOYSA-N |
Product Overview
(2-Acetyloxy-4-tert-butylphenyl) acetate (CAS 80869-94-9), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: (2-acetyloxy-4-tert-butylphenyl) acetate.
Chemical Property Profile of (2-Acetyloxy-4-tert-butylphenyl) acetate
Property Insights of (2-Acetyloxy-4-tert-butylphenyl) acetate
The XLogP value of 3.1 indicates that (2-Acetyloxy-4-tert-butylphenyl) acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (2-Acetyloxy-4-tert-butylphenyl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Acetyloxy-4-tert-butylphenyl) acetate has 0 hydrogen bond donor(s) and 4 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 (2-Acetyloxy-4-tert-butylphenyl) acetate?
The CAS number of (2-Acetyloxy-4-tert-butylphenyl) acetate is 80869-94-9.
What is the molecular formula of (2-Acetyloxy-4-tert-butylphenyl) acetate?
The molecular formula of (2-Acetyloxy-4-tert-butylphenyl) acetate is C14H18O4.
What is the molecular weight of (2-Acetyloxy-4-tert-butylphenyl) acetate?
The molecular weight of (2-Acetyloxy-4-tert-butylphenyl) acetate is 250.12 g/mol.
Where can I buy (2-Acetyloxy-4-tert-butylphenyl) acetate?
You can request a quote for (2-Acetyloxy-4-tert-butylphenyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Acetyloxy-4-tert-butylphenyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (2-Acetyloxy-4-tert-butylphenyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.