4-(3-Oxobutyl)phenyl isovalerate
TL;DR: 4-(3-Oxobutyl)phenyl isovalerate (CAS 84812-71-5) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-oxobutyl)phenyl] 3-methylbutanoate
Also Known As: 4- phenylisovalerate, 4-(3-Oxobutyl)phenyl isovalerate, EINECS 284-215-7, [4-(3-oxobutyl)phenyl] 3-methylbutanoate, 4-(3-OXOBUTYL)PHENYL 3-METHYLBUTANOATE
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 3.1597 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 404.25183 |
Chemical Identifiers
| CAS Number | 84812-71-5 |
|---|---|
| SMILES | CC(C)CC(=O)OC1=CC=C(C=C1)CCC(=O)C |
Product Overview
4-(3-Oxobutyl)phenyl isovalerate (CAS 84812-71-5), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: [4-(3-oxobutyl)phenyl] 3-methylbutanoate.
Chemical Property Profile of 4-(3-Oxobutyl)phenyl isovalerate
Property Insights of 4-(3-Oxobutyl)phenyl isovalerate
The XLogP value of 3.1597 indicates that 4-(3-Oxobutyl)phenyl isovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 4-(3-Oxobutyl)phenyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Oxobutyl)phenyl isovalerate has 0 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 4-(3-Oxobutyl)phenyl isovalerate?
The CAS number of 4-(3-Oxobutyl)phenyl isovalerate is 84812-71-5.
What is the molecular formula of 4-(3-Oxobutyl)phenyl isovalerate?
The molecular formula of 4-(3-Oxobutyl)phenyl isovalerate is C15H20O3.
What is the molecular weight of 4-(3-Oxobutyl)phenyl isovalerate?
The molecular weight of 4-(3-Oxobutyl)phenyl isovalerate is 248.14 g/mol.
Where can I buy 4-(3-Oxobutyl)phenyl isovalerate?
You can request a quote for 4-(3-Oxobutyl)phenyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Oxobutyl)phenyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Oxobutyl)phenyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.