4-(Tert-butoxy)-4-oxobutanoic acid
TL;DR: 4-(Tert-butoxy)-4-oxobutanoic acid (CAS 15026-69-4) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Also Known As: mono-tert-Butyl succinate, 4-(tert-Butoxy)-4-oxobutanoic acid, Naftifine, Succinic acid mono-tert-butyl ester, 4-tert-butoxy-4-oxobutanoic acid
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.1929 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 177.9871 |
Chemical Identifiers
| CAS Number | 15026-69-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCC(=O)O |
Product Overview
4-(Tert-butoxy)-4-oxobutanoic acid (CAS 15026-69-4), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
Chemical Property Profile of 4-(Tert-butoxy)-4-oxobutanoic acid
Property Insights of 4-(Tert-butoxy)-4-oxobutanoic acid
The XLogP value of 1.1929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Tert-butoxy)-4-oxobutanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Tert-butoxy)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(Tert-butoxy)-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-(Tert-butoxy)-4-oxobutanoic acid?
The CAS number of 4-(Tert-butoxy)-4-oxobutanoic acid is 15026-69-4.
What is the molecular formula of 4-(Tert-butoxy)-4-oxobutanoic acid?
The molecular formula of 4-(Tert-butoxy)-4-oxobutanoic acid is C8H14O4.
What is the molecular weight of 4-(Tert-butoxy)-4-oxobutanoic acid?
The molecular weight of 4-(Tert-butoxy)-4-oxobutanoic acid is 174.09 g/mol.
Where can I buy 4-(Tert-butoxy)-4-oxobutanoic acid?
You can request a quote for 4-(Tert-butoxy)-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-(Tert-butoxy)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Tert-butoxy)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.