1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate
TL;DR: 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate (CAS 1248-43-7) is a chemical compound with molecular formula C23H28O4 and molecular weight 368.19876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-O-benzyl 1-O-octyl benzene-1,2-dicarboxylate
Also Known As: Benzyl octyl phthalate, octyl benzyl phthalate, 2-O-benzyl 1-O-octyl benzene-1,2-dicarboxylate, Phthalic acid 1-benzyl 2-octyl ester, Benzyl octyl benzene-1,2-dicarboxylate
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H28O4 |
| Molecular Weight | 368.19876 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 368.19876 Da |
| Heavy Atoms | 27 |
| Complexity | 428.0 |
| SMILES | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2 |
| InChIKey | WHHSHXMIKFVAEK-UHFFFAOYSA-N |
Chemical Property Profile of 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate
Property Insights of 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate
The XLogP value of 7.1 indicates that 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate 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 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate?
The CAS number of 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate is 1248-43-7.
What is the molecular formula of 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate?
The molecular formula of 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate is C23H28O4.
What is the molecular weight of 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate?
The molecular weight of 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate is 368.19876 g/mol.
Where can I buy 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate?
You can request a quote for 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate?
Yes, CoreyChem provides custom synthesis services for 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.