Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester
TL;DR: Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester (CAS 108418-24-2) is a chemical compound with molecular formula C45H53NO6 and molecular weight 703.38727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[4-(4-hexylbenzoyl)benzoyl]oxyethyl-methylamino]ethyl 4-(4-hexylbenzoyl)benzoate
Also Known As: Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester, (Methylazanediyl)di(ethane-2,1-diyl) bis[4-(4-hexylbenzoyl)benzoate], 2-[2-[4-(4-hexylbenzoyl)benzoyl]oxyethyl-methylamino]ethyl 4-(4-hexylbenzoyl)benzoate
Technical Specifications
| Molecular Formula | C45H53NO6 |
| Molecular Weight | 703.38727 g/mol |
| XLogP | 12.0 |
| Topological Polar Surface Area (TPSA) | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 24 |
| Exact Mass | 703.38727 Da |
| Heavy Atoms | 52 |
| Complexity | 962.0 |
| SMILES | CCCCCCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OCCN(C)CCOC(=O)C3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)CCCCCC |
| InChIKey | HPJSIQSUCDROES-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester
Property Insights of Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester
The XLogP value of 12.0 indicates that Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester?
The CAS number of Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester is 108418-24-2.
What is the molecular formula of Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester?
The molecular formula of Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester is C45H53NO6.
What is the molecular weight of Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester?
The molecular weight of Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester is 703.38727 g/mol.
Where can I buy Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester?
You can request a quote for Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-(4-hexylbenzoyl)-, (methylimino)di-2,1-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.