4-(3-Oxobutyl)phenyl 2-methylbutyrate
TL;DR: 4-(3-Oxobutyl)phenyl 2-methylbutyrate (CAS 84812-73-7) 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] 2-methylbutanoate
Also Known As: 4- phenyl2-methylbutyrate, 4-(3-Oxobutyl)phenyl 2-methylbutyrate, EINECS 284-217-8, [4-(3-oxobutyl)phenyl] 2-methylbutanoate, 4-(3-OXOBUTYL)PHENYL 2-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 | 406.25183 |
Chemical Identifiers
| CAS Number | 84812-73-7 |
|---|---|
| SMILES | CCC(C)C(=O)OC1=CC=C(C=C1)CCC(=O)C |
Product Overview
4-(3-Oxobutyl)phenyl 2-methylbutyrate (CAS 84812-73-7), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: [4-(3-oxobutyl)phenyl] 2-methylbutanoate.
Chemical Property Profile of 4-(3-Oxobutyl)phenyl 2-methylbutyrate
Property Insights of 4-(3-Oxobutyl)phenyl 2-methylbutyrate
The XLogP value of 3.1597 indicates that 4-(3-Oxobutyl)phenyl 2-methylbutyrate 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 2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Oxobutyl)phenyl 2-methylbutyrate 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 2-methylbutyrate?
The CAS number of 4-(3-Oxobutyl)phenyl 2-methylbutyrate is 84812-73-7.
What is the molecular formula of 4-(3-Oxobutyl)phenyl 2-methylbutyrate?
The molecular formula of 4-(3-Oxobutyl)phenyl 2-methylbutyrate is C15H20O3.
What is the molecular weight of 4-(3-Oxobutyl)phenyl 2-methylbutyrate?
The molecular weight of 4-(3-Oxobutyl)phenyl 2-methylbutyrate is 248.14 g/mol.
Where can I buy 4-(3-Oxobutyl)phenyl 2-methylbutyrate?
You can request a quote for 4-(3-Oxobutyl)phenyl 2-methylbutyrate 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 2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Oxobutyl)phenyl 2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.