5-(4-tert-Butylphenyl)-5-oxovaleric acid
TL;DR: 5-(4-tert-Butylphenyl)-5-oxovaleric acid (CAS 97692-66-5) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-tert-butylphenyl)-5-oxopentanoic acid
Also Known As: 5-(4-tert-Butylphenyl)-5-oxovaleric acid, 5-(4-tert-butylphenyl)-5-oxopentanoic acid, 5-(4-t-butylphenyl)-5-oxovaleric acid, 5- -5-OXOVALERICACID, 5-(4-(tert-Butyl)phenyl)-5-oxopentanoic acid
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 3.4217 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 424.0471 |
Chemical Identifiers
| CAS Number | 97692-66-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CCCC(=O)O |
Product Overview
5-(4-tert-Butylphenyl)-5-oxovaleric acid (CAS 97692-66-5), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 5-(4-tert-butylphenyl)-5-oxopentanoic acid.
Chemical Property Profile of 5-(4-tert-Butylphenyl)-5-oxovaleric acid
Property Insights of 5-(4-tert-Butylphenyl)-5-oxovaleric acid
The XLogP value of 3.4217 indicates that 5-(4-tert-Butylphenyl)-5-oxovaleric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 5-(4-tert-Butylphenyl)-5-oxovaleric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-tert-Butylphenyl)-5-oxovaleric acid has 1 hydrogen bond donor(s) and 2 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 5-(4-tert-Butylphenyl)-5-oxovaleric acid?
The CAS number of 5-(4-tert-Butylphenyl)-5-oxovaleric acid is 97692-66-5.
What is the molecular formula of 5-(4-tert-Butylphenyl)-5-oxovaleric acid?
The molecular formula of 5-(4-tert-Butylphenyl)-5-oxovaleric acid is C15H20O3.
What is the molecular weight of 5-(4-tert-Butylphenyl)-5-oxovaleric acid?
The molecular weight of 5-(4-tert-Butylphenyl)-5-oxovaleric acid is 248.14 g/mol.
Where can I buy 5-(4-tert-Butylphenyl)-5-oxovaleric acid?
You can request a quote for 5-(4-tert-Butylphenyl)-5-oxovaleric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-tert-Butylphenyl)-5-oxovaleric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-tert-Butylphenyl)-5-oxovaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.