Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate
TL;DR: Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate (CAS 7477-02-3) is a chemical compound with molecular formula C16H24O3 and molecular weight 264.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate
Also Known As: pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate, Pentyl hydroxy[4-(propan-2-yl)phenyl]acetate
| Molecular Formula | C16H24O3 |
|---|---|
| Molecular Weight | 264.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.17255 |
| Heavy Atoms | 19 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 7477-02-3 |
|---|---|
| SMILES | CCCCCOC(=O)C(C1=CC=C(C=C1)C(C)C)O |
| InChIKey | FCXGWKTWQCVXBP-UHFFFAOYSA-N |
Product Overview
Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate (CAS 7477-02-3), with molecular formula C16H24O3 and molecular weight 264.17 g/mol. IUPAC: pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate.
Chemical Property Profile of Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate
Property Insights of Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate
The XLogP value of 4.1 indicates that Pentyl 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, Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 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 Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
The CAS number of Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate is 7477-02-3.
What is the molecular formula of Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
The molecular formula of Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate is C16H24O3.
What is the molecular weight of Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
The molecular weight of Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate is 264.17 g/mol.
Where can I buy Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
You can request a quote for Pentyl 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 Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.