Diphenacyl isophthalate
TL;DR: Diphenacyl isophthalate (CAS 116345-97-2) is a chemical compound with molecular formula C24H18O6 and molecular weight 402.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diphenacyl benzene-1,3-dicarboxylate
Also Known As: Diphenacyl isophthalate, isophthalic acid diphenacyl ester, diphenacyl benzene-1,3-dicarboxylate, Bis(2-oxo-2-phenylethyl) benzene-1,3-dicarboxylate
| Molecular Formula | C24H18O6 |
|---|---|
| Molecular Weight | 402.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 402.11035 |
| Heavy Atoms | 30 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 116345-97-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)C(=O)OCC(=O)C3=CC=CC=C3 |
| InChIKey | NWTODHNVXLOHFQ-UHFFFAOYSA-N |
Product Overview
Diphenacyl isophthalate (CAS 116345-97-2), with molecular formula C24H18O6 and molecular weight 402.11 g/mol. IUPAC: diphenacyl benzene-1,3-dicarboxylate.
Chemical Property Profile of Diphenacyl isophthalate
Property Insights of Diphenacyl isophthalate
The XLogP value of 4.4 indicates that Diphenacyl isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphenacyl isophthalate. Following Lipinski's Rule of Five, Diphenacyl isophthalate has 0 hydrogen bond donor(s) and 6 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 Diphenacyl isophthalate?
The CAS number of Diphenacyl isophthalate is 116345-97-2.
What is the molecular formula of Diphenacyl isophthalate?
The molecular formula of Diphenacyl isophthalate is C24H18O6.
What is the molecular weight of Diphenacyl isophthalate?
The molecular weight of Diphenacyl isophthalate is 402.11 g/mol.
Where can I buy Diphenacyl isophthalate?
You can request a quote for Diphenacyl isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenacyl isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Diphenacyl isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.