Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester
TL;DR: Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester (CAS 64835-62-7) is a chemical compound with molecular formula C29H32O4 and molecular weight 444.23007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate
Also Known As: Methylhydroquinone, di(p-butylbenzoate), 2-Methyl-1,4-phenylene 4-butylbenzoate, Benzoic acid, 4-butyl-, 2-methyl-1,4-phenylene ester, 2-Methyl-1,4-phenylene bis(4-butylbenzoate), Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C29H32O4 |
| Molecular Weight | 444.23007 g/mol |
| XLogP | 8.9 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 444.23007 Da |
| Heavy Atoms | 33 |
| Complexity | 586.0 |
| SMILES | CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)C |
| InChIKey | NYWMWXDEVFKTJK-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester
Property Insights of Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester
The XLogP value of 8.9 indicates that Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester?
The CAS number of Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester is 64835-62-7.
What is the molecular formula of Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester?
The molecular formula of Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester is C29H32O4.
What is the molecular weight of Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester?
The molecular weight of Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester is 444.23007 g/mol.
Where can I buy Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester?
You can request a quote for Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-butyl-, 1,1'-(2-methyl-1,4-phenylene) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.