4-(3-Oxobutyl)phenyl isobutyrate
TL;DR: 4-(3-Oxobutyl)phenyl isobutyrate (CAS 84962-67-4) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-oxobutyl)phenyl] 2-methylpropanoate
Also Known As: 4- phenylisobutyrate, 4-(3-Oxobutyl)phenyl isobutyrate, EINECS 284-765-8, [4-(3-oxobutyl)phenyl] 2-methylpropanoate, 4-(3-OXOBUTYL)PHENYL 2-METHYLPROPANOATE
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.7696 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 390.4333 |
Chemical Identifiers
| CAS Number | 84962-67-4 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC=C(C=C1)CCC(=O)C |
Product Overview
4-(3-Oxobutyl)phenyl isobutyrate (CAS 84962-67-4), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: [4-(3-oxobutyl)phenyl] 2-methylpropanoate.
Chemical Property Profile of 4-(3-Oxobutyl)phenyl isobutyrate
Property Insights of 4-(3-Oxobutyl)phenyl isobutyrate
The XLogP value of 2.7696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Oxobutyl)phenyl isobutyrate. With a topological polar surface area (TPSA) of 43.37 Ų, 4-(3-Oxobutyl)phenyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Oxobutyl)phenyl isobutyrate 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 isobutyrate?
The CAS number of 4-(3-Oxobutyl)phenyl isobutyrate is 84962-67-4.
What is the molecular formula of 4-(3-Oxobutyl)phenyl isobutyrate?
The molecular formula of 4-(3-Oxobutyl)phenyl isobutyrate is C14H18O3.
What is the molecular weight of 4-(3-Oxobutyl)phenyl isobutyrate?
The molecular weight of 4-(3-Oxobutyl)phenyl isobutyrate is 234.13 g/mol.
Where can I buy 4-(3-Oxobutyl)phenyl isobutyrate?
You can request a quote for 4-(3-Oxobutyl)phenyl isobutyrate 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 isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Oxobutyl)phenyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.