4-Oxo-4-phenylbutyl 4-hydroxybenzoate
TL;DR: 4-Oxo-4-phenylbutyl 4-hydroxybenzoate (CAS 877227-20-8) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-4-phenylbutyl) 4-hydroxybenzoate
Also Known As: 4-oxo-4-phenylbutyl 4-hydroxybenzoate, (4-oxo-4-phenylbutyl) 4-hydroxybenzoate, 4-oxo-4-phenylbutyl4-hydroxybenzoate
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.2121 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 602.447 |
Chemical Identifiers
| CAS Number | 877227-20-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CCCOC(=O)C2=CC=C(C=C2)O |
Product Overview
4-Oxo-4-phenylbutyl 4-hydroxybenzoate (CAS 877227-20-8), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: (4-oxo-4-phenylbutyl) 4-hydroxybenzoate.
Chemical Property Profile of 4-Oxo-4-phenylbutyl 4-hydroxybenzoate
Property Insights of 4-Oxo-4-phenylbutyl 4-hydroxybenzoate
The XLogP value of 3.2121 indicates that 4-Oxo-4-phenylbutyl 4-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-phenylbutyl 4-hydroxybenzoate. Following Lipinski's Rule of Five, 4-Oxo-4-phenylbutyl 4-hydroxybenzoate has 1 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 4-Oxo-4-phenylbutyl 4-hydroxybenzoate?
The CAS number of 4-Oxo-4-phenylbutyl 4-hydroxybenzoate is 877227-20-8.
What is the molecular formula of 4-Oxo-4-phenylbutyl 4-hydroxybenzoate?
The molecular formula of 4-Oxo-4-phenylbutyl 4-hydroxybenzoate is C17H16O4.
What is the molecular weight of 4-Oxo-4-phenylbutyl 4-hydroxybenzoate?
The molecular weight of 4-Oxo-4-phenylbutyl 4-hydroxybenzoate is 284.10 g/mol.
Where can I buy 4-Oxo-4-phenylbutyl 4-hydroxybenzoate?
You can request a quote for 4-Oxo-4-phenylbutyl 4-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4-phenylbutyl 4-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-phenylbutyl 4-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.