Diethyl 2-benzoylpentanedioate
TL;DR: Diethyl 2-benzoylpentanedioate (CAS 1593-10-8) is a chemical compound with molecular formula C16H20O5 and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-benzoylpentanedioate
Also Known As: diethyl 2-benzoylpentanedioate, 1,5-DIETHYL 2-BENZOYLPENTANEDIOATE, J3.806.461D, Pentanedioic acid,2-benzoyl-, 1,5-diethyl ester
| Molecular Formula | C16H20O5 |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 292.13107 |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 1593-10-8 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)C1=CC=CC=C1)C(=O)OCC |
| InChIKey | VMSXKUSWFVMKML-UHFFFAOYSA-N |
Product Overview
Diethyl 2-benzoylpentanedioate (CAS 1593-10-8), with molecular formula C16H20O5 and molecular weight 292.13 g/mol. IUPAC: diethyl 2-benzoylpentanedioate.
Chemical Property Profile of Diethyl 2-benzoylpentanedioate
Property Insights of Diethyl 2-benzoylpentanedioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-benzoylpentanedioate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-benzoylpentanedioate. Following Lipinski's Rule of Five, Diethyl 2-benzoylpentanedioate has 0 hydrogen bond donor(s) and 5 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-benzoylpentanedioate?
The CAS number of Diethyl 2-benzoylpentanedioate is 1593-10-8.
What is the molecular formula of Diethyl 2-benzoylpentanedioate?
The molecular formula of Diethyl 2-benzoylpentanedioate is C16H20O5.
What is the molecular weight of Diethyl 2-benzoylpentanedioate?
The molecular weight of Diethyl 2-benzoylpentanedioate is 292.13 g/mol.
Where can I buy Diethyl 2-benzoylpentanedioate?
You can request a quote for Diethyl 2-benzoylpentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-benzoylpentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-benzoylpentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.