6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid
TL;DR: 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid (CAS 59772-06-4) is a chemical compound with molecular formula C24H29NO5 and molecular weight 411.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid
Also Known As: 6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid, 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-[4-(propan-2-yl)phenyl]heptanoic acid
| Molecular Formula | C24H29NO5 |
|---|---|
| Molecular Weight | 411.20 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.20456 |
| Heavy Atoms | 30 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 59772-06-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(CC(=O)C(C)(C)C)C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | PYWQQDWIIBUAEF-UHFFFAOYSA-N |
Product Overview
6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid (CAS 59772-06-4), with molecular formula C24H29NO5 and molecular weight 411.20 g/mol. IUPAC: 6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid.
Chemical Property Profile of 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid
Property Insights of 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid
The XLogP value of 5.2 indicates that 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid. Following Lipinski's Rule of Five, 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid?
The CAS number of 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid is 59772-06-4.
What is the molecular formula of 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid?
The molecular formula of 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid is C24H29NO5.
What is the molecular weight of 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid?
The molecular weight of 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid is 411.20 g/mol.
Where can I buy 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid?
You can request a quote for 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.