Diphenyl isophthalate
TL;DR: Diphenyl isophthalate (CAS 744-45-6) is a chemical compound with molecular formula C20H14O4 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diphenyl benzene-1,3-dicarboxylate
Also Known As: Diphenyl isophthalate, Diphenyl m-phthalate, diphenyl benzene-1,3-dicarboxylate, DIPHENYLISOPHTHALATE, Diphenyl mphthalate
| Molecular Formula | C20H14O4 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0892 |
| Heavy Atoms | 24 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 744-45-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3 |
| InChIKey | FHESUNXRPBHDQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenyl isophthalate (CAS 744-45-6), with molecular formula C20H14O4 and molecular weight 318.09 g/mol. IUPAC: diphenyl benzene-1,3-dicarboxylate.
Chemical Property Profile of Diphenyl isophthalate
Property Insights of Diphenyl isophthalate
The XLogP value of 5.0 indicates that Diphenyl isophthalate 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 isophthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenyl isophthalate 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
Frequently Asked Questions
What is the CAS number of Diphenyl isophthalate?
The CAS number of Diphenyl isophthalate is 744-45-6.
What is the molecular formula of Diphenyl isophthalate?
The molecular formula of Diphenyl isophthalate is C20H14O4.
What is the molecular weight of Diphenyl isophthalate?
The molecular weight of Diphenyl isophthalate is 318.09 g/mol.
Where can I buy Diphenyl isophthalate?
You can request a quote for Diphenyl isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenyl isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Diphenyl isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.