Diethyl 2,3-dibenzoylsuccinate
TL;DR: Diethyl 2,3-dibenzoylsuccinate (CAS 4687-38-1) is a chemical compound with molecular formula C22H22O6 and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,3-dibenzoylbutanedioate
Also Known As: Diethyl 2,3-dibenzoylsuccinate, diethyl 2,3-dibenzoylbutanedioate, 1,4-Diethyl 2,3-dibenzoylbutanedioate, 2,3-Dibenzoylsuccinic acid diethyl ester, 2,3-Dibenzoylbutanedioic acid diethyl ester
| Molecular Formula | C22H22O6 |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 382.14163 |
| Heavy Atoms | 28 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 4687-38-1 |
|---|---|
| SMILES | CCOC(=O)C(C(C(=O)C1=CC=CC=C1)C(=O)OCC)C(=O)C2=CC=CC=C2 |
| InChIKey | LNKDGSQQKJLYEV-UHFFFAOYSA-N |
Product Overview
Diethyl 2,3-dibenzoylsuccinate (CAS 4687-38-1), with molecular formula C22H22O6 and molecular weight 382.14 g/mol. IUPAC: diethyl 2,3-dibenzoylbutanedioate.
Chemical Property Profile of Diethyl 2,3-dibenzoylsuccinate
Property Insights of Diethyl 2,3-dibenzoylsuccinate
The XLogP value of 3.8 indicates that Diethyl 2,3-dibenzoylsuccinate 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 Diethyl 2,3-dibenzoylsuccinate. Following Lipinski's Rule of Five, Diethyl 2,3-dibenzoylsuccinate 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 2,3-dibenzoylsuccinate?
The CAS number of Diethyl 2,3-dibenzoylsuccinate is 4687-38-1.
What is the molecular formula of Diethyl 2,3-dibenzoylsuccinate?
The molecular formula of Diethyl 2,3-dibenzoylsuccinate is C22H22O6.
What is the molecular weight of Diethyl 2,3-dibenzoylsuccinate?
The molecular weight of Diethyl 2,3-dibenzoylsuccinate is 382.14 g/mol.
Where can I buy Diethyl 2,3-dibenzoylsuccinate?
You can request a quote for Diethyl 2,3-dibenzoylsuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,3-dibenzoylsuccinate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,3-dibenzoylsuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.