Diethyl terephthaloyldiacetetate
TL;DR: Diethyl terephthaloyldiacetetate (CAS 93-94-7) is a chemical compound with molecular formula C16H18O6 and molecular weight 306.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4-(3-ethoxy-3-oxopropanoyl)phenyl]-3-oxopropanoate
Also Known As: Diethyl terephthaloylbisacetate, Diethyl terephthaloyldiacetetate, DIETHYL TEREPHTHALOYLDIACETATE, Acetic acid, diethyl ester, Diethylterephthaloyldiacetate
| Molecular Formula | C16H18O6 |
|---|---|
| Molecular Weight | 306.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 306.11035 |
| Heavy Atoms | 22 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 93-94-7 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)C(=O)CC(=O)OCC |
| InChIKey | OQMWAQGCEOMWNZ-UHFFFAOYSA-N |
Product Overview
Diethyl terephthaloyldiacetetate (CAS 93-94-7), with molecular formula C16H18O6 and molecular weight 306.11 g/mol. IUPAC: ethyl 3-[4-(3-ethoxy-3-oxopropanoyl)phenyl]-3-oxopropanoate.
Chemical Property Profile of Diethyl terephthaloyldiacetetate
Property Insights of Diethyl terephthaloyldiacetetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl terephthaloyldiacetetate. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl terephthaloyldiacetetate. Following Lipinski's Rule of Five, Diethyl terephthaloyldiacetetate 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 Diethyl terephthaloyldiacetetate?
The CAS number of Diethyl terephthaloyldiacetetate is 93-94-7.
What is the molecular formula of Diethyl terephthaloyldiacetetate?
The molecular formula of Diethyl terephthaloyldiacetetate is C16H18O6.
What is the molecular weight of Diethyl terephthaloyldiacetetate?
The molecular weight of Diethyl terephthaloyldiacetetate is 306.11 g/mol.
Where can I buy Diethyl terephthaloyldiacetetate?
You can request a quote for Diethyl terephthaloyldiacetetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl terephthaloyldiacetetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl terephthaloyldiacetetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.