Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester
TL;DR: Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester (CAS 100545-64-0) is a chemical compound with molecular formula C28H40O3 and molecular weight 424.29776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(2-methylbutyl)phenyl] 4-decoxybenzoate
Also Known As: Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester, 4-(2-methylbutyl)phenyl 4-(decyloxy)benzoate, [4-(2-methylbutyl)phenyl] 4-decoxybenzoate, J1.598.250K, [4-[(2S)-2-methylbutyl]phenyl] 4-decoxybenzoate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C28H40O3 |
| Molecular Weight | 424.29776 g/mol |
| XLogP | 9.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 424.29776 Da |
| Heavy Atoms | 31 |
| Complexity | 447.0 |
| SMILES | CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC |
| InChIKey | AXTSICLPKIDIMY-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester
Property Insights of Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester
The XLogP value of 9.9 indicates that Benzoic acid, 4-(decyloxy)-, 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-(decyloxy)-, 4-(2-methylbutyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(decyloxy)-, 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-(decyloxy)-, 4-(2-methylbutyl)phenyl ester?
The CAS number of Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester is 100545-64-0.
What is the molecular formula of Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester?
The molecular formula of Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester is C28H40O3.
What is the molecular weight of Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester?
The molecular weight of Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester is 424.29776 g/mol.
Where can I buy Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester?
You can request a quote for Benzoic acid, 4-(decyloxy)-, 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-(decyloxy)-, 4-(2-methylbutyl)phenyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.