2-Butanone, 4-(4-(benzoyloxy)phenyl)-
TL;DR: 2-Butanone, 4-(4-(benzoyloxy)phenyl)- (CAS 94135-08-7) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-oxobutyl)phenyl] benzoate
Also Known As: 4-(3-Oxobutyl)phenyl benzoate, 4- phenylbenzoate, 4-(3-oxobutyl)phenylbenzoate, EINECS 302-876-2, [4-(3-oxobutyl)phenyl] benzoate
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.4274 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 585.392 |
Chemical Identifiers
| CAS Number | 94135-08-7 |
|---|---|
| SMILES | CC(=O)CCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2 |
Product Overview
2-Butanone, 4-(4-(benzoyloxy)phenyl)- (CAS 94135-08-7), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: [4-(3-oxobutyl)phenyl] benzoate.
Chemical Property Profile of 2-Butanone, 4-(4-(benzoyloxy)phenyl)-
Property Insights of 2-Butanone, 4-(4-(benzoyloxy)phenyl)-
The XLogP value of 3.4274 indicates that 2-Butanone, 4-(4-(benzoyloxy)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Butanone, 4-(4-(benzoyloxy)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 4-(4-(benzoyloxy)phenyl)- 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 2-Butanone, 4-(4-(benzoyloxy)phenyl)-?
The CAS number of 2-Butanone, 4-(4-(benzoyloxy)phenyl)- is 94135-08-7.
What is the molecular formula of 2-Butanone, 4-(4-(benzoyloxy)phenyl)-?
The molecular formula of 2-Butanone, 4-(4-(benzoyloxy)phenyl)- is C17H16O3.
What is the molecular weight of 2-Butanone, 4-(4-(benzoyloxy)phenyl)-?
The molecular weight of 2-Butanone, 4-(4-(benzoyloxy)phenyl)- is 268.11 g/mol.
Where can I buy 2-Butanone, 4-(4-(benzoyloxy)phenyl)-?
You can request a quote for 2-Butanone, 4-(4-(benzoyloxy)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 4-(4-(benzoyloxy)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 4-(4-(benzoyloxy)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.