Benzoic acid, 3-(4-heptylbenzoyl)-
TL;DR: Benzoic acid, 3-(4-heptylbenzoyl)- (CAS 124054-15-5) is a chemical compound with molecular formula C21H24O3 and molecular weight 324.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-heptylbenzoyl)benzoic acid
Also Known As: 3-(4-heptylbenzoyl)benzoic Acid, Benzoic acid, 3-(4-heptylbenzoyl)-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H24O3 |
| Molecular Weight | 324.17255 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 324.17255 Da |
| Heavy Atoms | 24 |
| Complexity | 396.0 |
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O |
| InChIKey | SMCBBWKNXCJJFM-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3-(4-heptylbenzoyl)-
Property Insights of Benzoic acid, 3-(4-heptylbenzoyl)-
The XLogP value of 6.3 indicates that Benzoic acid, 3-(4-heptylbenzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Benzoic acid, 3-(4-heptylbenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(4-heptylbenzoyl)- 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 Benzoic acid, 3-(4-heptylbenzoyl)-?
The CAS number of Benzoic acid, 3-(4-heptylbenzoyl)- is 124054-15-5.
What is the molecular formula of Benzoic acid, 3-(4-heptylbenzoyl)-?
The molecular formula of Benzoic acid, 3-(4-heptylbenzoyl)- is C21H24O3.
What is the molecular weight of Benzoic acid, 3-(4-heptylbenzoyl)-?
The molecular weight of Benzoic acid, 3-(4-heptylbenzoyl)- is 324.17255 g/mol.
Where can I buy Benzoic acid, 3-(4-heptylbenzoyl)-?
You can request a quote for Benzoic acid, 3-(4-heptylbenzoyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3-(4-heptylbenzoyl)-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3-(4-heptylbenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.