Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate
TL;DR: Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate (CAS 7477-00-1) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate
Also Known As: butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate, Butyl hydroxy[4-(propan-2-yl)phenyl]acetate
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 7477-00-1 |
|---|---|
| SMILES | CCCCOC(=O)C(C1=CC=C(C=C1)C(C)C)O |
| InChIKey | LNVKNOJKULLIOG-UHFFFAOYSA-N |
Product Overview
Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate (CAS 7477-00-1), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate.
Chemical Property Profile of Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate
Property Insights of Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate
The XLogP value of 3.5 indicates that Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate has 1 hydrogen bond donor(s) and 3 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 Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
The CAS number of Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate is 7477-00-1.
What is the molecular formula of Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
The molecular formula of Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate is C15H22O3.
What is the molecular weight of Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
The molecular weight of Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate is 250.16 g/mol.
Where can I buy Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
You can request a quote for Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.