![4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid structure](/static/products/1008/100833-45-2.webp)
4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid
TL;DR: 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid (CAS 100833-45-2) is a chemical compound with molecular formula C18H26O4 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-octoxyphenyl)-4-oxobutanoic acid
Also Known As: 4-[4-(octyloxy)phenyl]-4-oxobutanoic acid, Maybridge1_002223, 4-(4-octoxyphenyl)-4-oxobutanoic acid, 4-octyloxxybenzoylpropionic acid, Benzenebutanoic acid,4-(octyloxy)-g-oxo-
| Molecular Formula | C18H26O4 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 4.4734 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 306.1831 |
| Heavy Atoms | 22 |
| Complexity | 450.65988 |
Chemical Identifiers
| CAS Number | 100833-45-2 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)O |
Product Overview
4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid (CAS 100833-45-2), with molecular formula C18H26O4 and molecular weight 306.18 g/mol. IUPAC: 4-(4-octoxyphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid
Property Insights of 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid
The XLogP value of 4.4734 indicates that 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid has 1 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-[4-(Octyloxy)phenyl]-4-oxobutanoic acid?
The CAS number of 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid is 100833-45-2.
What is the molecular formula of 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid?
The molecular formula of 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid is C18H26O4.
What is the molecular weight of 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid?
The molecular weight of 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid is 306.18 g/mol.
Where can I buy 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid?
You can request a quote for 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.