2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid
TL;DR: 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid (CAS 145096-13-5) is a chemical compound with molecular formula C23H29ClO3 and molecular weight 388.1805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-tert-butylphenoxy)-7-(4-chlorophenyl)heptanoic acid
Also Known As: 2-Tbupho-7-clph-7COOH, 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid, BM 13.1074, BM 131074, (+-)-4-Chloro-alpha-(4-(1,1-dimethylethyl)phenoxy)benzeneheptanoic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H29ClO3 |
| Molecular Weight | 388.1805 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 388.1805 Da |
| Heavy Atoms | 27 |
| Complexity | 429.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(CCCCCC2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | GTVAMRIODYMSGH-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid
Property Insights of 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid
The XLogP value of 7.6 indicates that 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid?
The CAS number of 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid is 145096-13-5.
What is the molecular formula of 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid?
The molecular formula of 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid is C23H29ClO3.
What is the molecular weight of 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid?
The molecular weight of 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid is 388.1805 g/mol.
Where can I buy 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid?
You can request a quote for 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(4-tert-Butylphenoxy)-7-(4-chlorophenyl)heptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.