4-(3-Oxobutyl)phenyl valerate
TL;DR: 4-(3-Oxobutyl)phenyl valerate (CAS 94202-15-0) 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] pentanoate
Also Known As: 4-(3-Oxobutyl)phenyl valerate, 4- phenylvalerate, EINECS 303-708-0, [4-(3-oxobutyl)phenyl] pentanoate, 4-(3-OXOBUTYL)PHENYL PENTANOATE
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 3.3038 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 392.70468 |
Chemical Identifiers
| CAS Number | 94202-15-0 |
|---|---|
| SMILES | CCCCC(=O)OC1=CC=C(C=C1)CCC(=O)C |
Product Overview
4-(3-Oxobutyl)phenyl valerate (CAS 94202-15-0), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: [4-(3-oxobutyl)phenyl] pentanoate.
Chemical Property Profile of 4-(3-Oxobutyl)phenyl valerate
Property Insights of 4-(3-Oxobutyl)phenyl valerate
The XLogP value of 3.3038 indicates that 4-(3-Oxobutyl)phenyl valerate 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 valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Oxobutyl)phenyl valerate 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 valerate?
The CAS number of 4-(3-Oxobutyl)phenyl valerate is 94202-15-0.
What is the molecular formula of 4-(3-Oxobutyl)phenyl valerate?
The molecular formula of 4-(3-Oxobutyl)phenyl valerate is C15H20O3.
What is the molecular weight of 4-(3-Oxobutyl)phenyl valerate?
The molecular weight of 4-(3-Oxobutyl)phenyl valerate is 248.14 g/mol.
Where can I buy 4-(3-Oxobutyl)phenyl valerate?
You can request a quote for 4-(3-Oxobutyl)phenyl valerate 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 valerate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Oxobutyl)phenyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.