Diethyl 2,3-dibenzamidobut-2-enedioate
TL;DR: Diethyl 2,3-dibenzamidobut-2-enedioate (CAS 85992-72-9) is a chemical compound with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,3-dibenzamidobut-2-enedioate
Also Known As: diethyl 2,3-dibenzamidobut-2-enedioate, diethyl (E)-2,3-dibenzamidobut-2-enedioate
| Molecular Formula | C22H22N2O6 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 410.1478 |
| Heavy Atoms | 30 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 85992-72-9 |
|---|---|
| SMILES | CCOC(=O)C(=C(C(=O)OCC)NC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2 |
| InChIKey | QCKJOUMNSUUHEN-UHFFFAOYSA-N |
Product Overview
Diethyl 2,3-dibenzamidobut-2-enedioate (CAS 85992-72-9), with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol. IUPAC: diethyl 2,3-dibenzamidobut-2-enedioate.
Chemical Property Profile of Diethyl 2,3-dibenzamidobut-2-enedioate
Property Insights of Diethyl 2,3-dibenzamidobut-2-enedioate
The XLogP value of 4.1 indicates that Diethyl 2,3-dibenzamidobut-2-enedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,3-dibenzamidobut-2-enedioate. Following Lipinski's Rule of Five, Diethyl 2,3-dibenzamidobut-2-enedioate has 2 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-dibenzamidobut-2-enedioate?
The CAS number of Diethyl 2,3-dibenzamidobut-2-enedioate is 85992-72-9.
What is the molecular formula of Diethyl 2,3-dibenzamidobut-2-enedioate?
The molecular formula of Diethyl 2,3-dibenzamidobut-2-enedioate is C22H22N2O6.
What is the molecular weight of Diethyl 2,3-dibenzamidobut-2-enedioate?
The molecular weight of Diethyl 2,3-dibenzamidobut-2-enedioate is 410.15 g/mol.
Where can I buy Diethyl 2,3-dibenzamidobut-2-enedioate?
You can request a quote for Diethyl 2,3-dibenzamidobut-2-enedioate 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-dibenzamidobut-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,3-dibenzamidobut-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.