4-(3-Oxobutyl)phenyl propionate
TL;DR: 4-(3-Oxobutyl)phenyl propionate (CAS 84604-41-1) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-oxobutyl)phenyl] propanoate
Also Known As: 4-(3-Oxobutyl)phenyl propionate, [4-(3-oxobutyl)phenyl] propanoate, 4-(3-OXOBUTYL)PHENYL PROPANOATE, 4-[4-(1-Oxopropoxy)phenyl]-2-butanone, 2-Butanone,4-[4-(1-oxopropoxy)phenyl]-
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 84604-41-1 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)CCC(=O)C |
| InChIKey | NBNZUDHERZHGTE-UHFFFAOYSA-N |
Product Overview
4-(3-Oxobutyl)phenyl propionate (CAS 84604-41-1), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: [4-(3-oxobutyl)phenyl] propanoate.
Chemical Property Profile of 4-(3-Oxobutyl)phenyl propionate
Property Insights of 4-(3-Oxobutyl)phenyl propionate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Oxobutyl)phenyl propionate. With a topological polar surface area (TPSA) of 43.4 Ų, 4-(3-Oxobutyl)phenyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Oxobutyl)phenyl propionate 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 propionate?
The CAS number of 4-(3-Oxobutyl)phenyl propionate is 84604-41-1.
What is the molecular formula of 4-(3-Oxobutyl)phenyl propionate?
The molecular formula of 4-(3-Oxobutyl)phenyl propionate is C13H16O3.
What is the molecular weight of 4-(3-Oxobutyl)phenyl propionate?
The molecular weight of 4-(3-Oxobutyl)phenyl propionate is 220.11 g/mol.
Where can I buy 4-(3-Oxobutyl)phenyl propionate?
You can request a quote for 4-(3-Oxobutyl)phenyl propionate 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 propionate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Oxobutyl)phenyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.