Diphenyl terephthalate
TL;DR: Diphenyl terephthalate (CAS 1539-04-4) is a chemical compound with molecular formula C20H14O4 and molecular weight 318.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diphenyl benzene-1,4-dicarboxylate
Also Known As: Diphenyl terephthalate, DIPHENYLTEREPHTHALATE, 1, diphenyl ester, Terephthalic acid, diphenyl ester, diphenyl benzene-1,4-dicarboxylate
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H14O4 |
| Molecular Weight | 318.0892 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0892 Da |
| Heavy Atoms | 24 |
| Complexity | 373.0 |
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3 |
| InChIKey | HPGJOUYGWKFYQW-UHFFFAOYSA-N |
Chemical Property Profile of Diphenyl terephthalate
Property Insights of Diphenyl terephthalate
The XLogP value of 5.0 indicates that Diphenyl terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diphenyl terephthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenyl terephthalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diphenyl terephthalate?
The CAS number of Diphenyl terephthalate is 1539-04-4.
What is the molecular formula of Diphenyl terephthalate?
The molecular formula of Diphenyl terephthalate is C20H14O4.
What is the molecular weight of Diphenyl terephthalate?
The molecular weight of Diphenyl terephthalate is 318.0892 g/mol.
Where can I buy Diphenyl terephthalate?
You can request a quote for Diphenyl terephthalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diphenyl terephthalate?
Yes, CoreyChem provides custom synthesis services for Diphenyl terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.