Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate
TL;DR: Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate (CAS 371222-07-0) is a chemical compound with molecular formula C22H30O8 and molecular weight 422.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,5-bis(3-ethoxy-3-oxopropyl)benzene-1,4-dicarboxylate
Also Known As: BIM-0033195.P001, diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate, AB01323088-02, diethyl 2,5-bis(3-ethoxy-3-oxopropyl)benzene-1,4-dicarboxylate, diethyl 2,5-bis(3-ethoxy-3-oxo-propyl)benzene-1,4-dicarboxylate
| Molecular Formula | C22H30O8 |
|---|---|
| Molecular Weight | 422.19 g/mol |
| LogP | 3.0314 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 422.19406 |
| Heavy Atoms | 30 |
| Complexity | 689.9996 |
Chemical Identifiers
| CAS Number | 371222-07-0 |
|---|---|
| SMILES | CCOC(=O)CCC1=CC(=C(C=C1C(=O)OCC)CCC(=O)OCC)C(=O)OCC |
Product Overview
Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate (CAS 371222-07-0), with molecular formula C22H30O8 and molecular weight 422.19 g/mol. IUPAC: diethyl 2,5-bis(3-ethoxy-3-oxopropyl)benzene-1,4-dicarboxylate.
Chemical Property Profile of Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate
Property Insights of Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate
The XLogP value of 3.0314 indicates that Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate. Following Lipinski's Rule of Five, Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate has 0 hydrogen bond donor(s) and 8 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 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate?
The CAS number of Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate is 371222-07-0.
What is the molecular formula of Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate?
The molecular formula of Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate is C22H30O8.
What is the molecular weight of Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate?
The molecular weight of Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate is 422.19 g/mol.
Where can I buy Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate?
You can request a quote for Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,5-bis(3-ethoxy-3-oxopropyl)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.