Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester
TL;DR: Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester (CAS 100545-65-1) is a chemical compound with molecular formula C30H44O3 and molecular weight 452.32904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(2-methylbutyl)phenyl] 4-dodecoxybenzoate
Also Known As: -4- phenyl4- benzoate, Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester, 4-(2-methylbutyl)phenyl 4-(dodecyloxy)benzoate, Methylbutylphenyl dodecyloxybenzoate, (2S)-, [4-(2-methylbutyl)phenyl] 4-dodecoxybenzoate
Technical Specifications
| Molecular Formula | C30H44O3 |
| Molecular Weight | 452.32904 g/mol |
| XLogP | 11.0 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 452.32904 Da |
| Heavy Atoms | 33 |
| Complexity | 475.0 |
| SMILES | CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC |
| InChIKey | KOWGBOBLPFEEBC-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester
Property Insights of Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester
The XLogP value of 11.0 indicates that Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester has 0 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, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester?
The CAS number of Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester is 100545-65-1.
What is the molecular formula of Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester?
The molecular formula of Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester is C30H44O3.
What is the molecular weight of Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester?
The molecular weight of Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester is 452.32904 g/mol.
Where can I buy Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester?
You can request a quote for Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.