4-Oxo-4-(4-isopropoxyphenyl)butyric acid
TL;DR: 4-Oxo-4-(4-isopropoxyphenyl)butyric acid (CAS 91121-67-4) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(4-propan-2-yloxyphenyl)butanoic acid
Also Known As: 4-OXO-4-(4-ISOPROPOXYPHENYL)BUTYRIC ACID, 4-oxo-4-(4-propan-2-yloxyphenyl)butanoic Acid, 4-oxo-4-[4-(propan-2-yloxy)phenyl]butanoic acid, Butanoic acid, 4-oxo-4-(4-propan-2-yloxyphenyl)-, 4-(4-Isopropyloxyphenyl)-4-oxobutyric acid
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 91121-67-4 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)CCC(=O)O |
| InChIKey | BUNKQFMIQRZJSY-UHFFFAOYSA-N |
Product Overview
4-Oxo-4-(4-isopropoxyphenyl)butyric acid (CAS 91121-67-4), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 4-oxo-4-(4-propan-2-yloxyphenyl)butanoic acid.
Chemical Property Profile of 4-Oxo-4-(4-isopropoxyphenyl)butyric acid
Property Insights of 4-Oxo-4-(4-isopropoxyphenyl)butyric acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-(4-isopropoxyphenyl)butyric acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-(4-isopropoxyphenyl)butyric acid. Following Lipinski's Rule of Five, 4-Oxo-4-(4-isopropoxyphenyl)butyric acid has 1 hydrogen bond donor(s) and 4 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-Oxo-4-(4-isopropoxyphenyl)butyric acid?
The CAS number of 4-Oxo-4-(4-isopropoxyphenyl)butyric acid is 91121-67-4.
What is the molecular formula of 4-Oxo-4-(4-isopropoxyphenyl)butyric acid?
The molecular formula of 4-Oxo-4-(4-isopropoxyphenyl)butyric acid is C13H16O4.
What is the molecular weight of 4-Oxo-4-(4-isopropoxyphenyl)butyric acid?
The molecular weight of 4-Oxo-4-(4-isopropoxyphenyl)butyric acid is 236.10 g/mol.
Where can I buy 4-Oxo-4-(4-isopropoxyphenyl)butyric acid?
You can request a quote for 4-Oxo-4-(4-isopropoxyphenyl)butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4-(4-isopropoxyphenyl)butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(4-isopropoxyphenyl)butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.