4-(3-Oxobutyl)phenyl formate
TL;DR: 4-(3-Oxobutyl)phenyl formate (CAS 84604-55-7) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-oxobutyl)phenyl] formate
Also Known As: 4-(3-Oxobutyl)phenyl formate, [4-(3-oxobutyl)phenyl] formate, EINECS 283-336-2, 4-[4-(Formyloxy)phenyl]-2-butanone, 2-Butanone,4-[4-(formyloxy)phenyl]-
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.7434 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 313.80945 |
Chemical Identifiers
| CAS Number | 84604-55-7 |
|---|---|
| SMILES | CC(=O)CCC1=CC=C(C=C1)OC=O |
Product Overview
4-(3-Oxobutyl)phenyl formate (CAS 84604-55-7), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: [4-(3-oxobutyl)phenyl] formate.
Chemical Property Profile of 4-(3-Oxobutyl)phenyl formate
Property Insights of 4-(3-Oxobutyl)phenyl formate
The XLogP value of 1.7434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Oxobutyl)phenyl formate. With a topological polar surface area (TPSA) of 43.37 Ų, 4-(3-Oxobutyl)phenyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Oxobutyl)phenyl formate 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 formate?
The CAS number of 4-(3-Oxobutyl)phenyl formate is 84604-55-7.
What is the molecular formula of 4-(3-Oxobutyl)phenyl formate?
The molecular formula of 4-(3-Oxobutyl)phenyl formate is C11H12O3.
What is the molecular weight of 4-(3-Oxobutyl)phenyl formate?
The molecular weight of 4-(3-Oxobutyl)phenyl formate is 192.08 g/mol.
Where can I buy 4-(3-Oxobutyl)phenyl formate?
You can request a quote for 4-(3-Oxobutyl)phenyl formate 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 formate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Oxobutyl)phenyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.