1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester
TL;DR: 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester (CAS 19851-61-7) is a chemical compound with molecular formula C22H18O4 and molecular weight 346.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dibenzyl benzene-1,4-dicarboxylate
Also Known As: Dibenzyl terephthalate, dibenzyl benzene-1,4-dicarboxylate, HEPTANE, 1,4-Dibenzyl terephthalate, terephthalic acid dibenzyl ester
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H18O4 |
| Molecular Weight | 346.1205 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.1205 Da |
| Heavy Atoms | 26 |
| Complexity | 399.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3 |
| InChIKey | IWGFEQWCMAADJZ-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester
Property Insights of 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester
The XLogP value of 5.3 indicates that 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) 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, 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) 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 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester?
The CAS number of 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester is 19851-61-7.
What is the molecular formula of 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester?
The molecular formula of 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester is C22H18O4.
What is the molecular weight of 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester?
The molecular weight of 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester is 346.1205 g/mol.
Where can I buy 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester?
You can request a quote for 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester?
Yes, CoreyChem provides custom synthesis services for 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.