(E)-1,4-dimorpholinobut-2-ene-1,4-dione
TL;DR: (E)-1,4-dimorpholinobut-2-ene-1,4-dione (CAS 5602-52-8) is a chemical compound with molecular formula C21H24INO3 and molecular weight 465.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: (E)-1,4-dimorpholinobut-2-ene-1,4-dione, ethyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, A1848/0077750, ethyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, 5-(1,4,5,6,7,7-Hexachloro-3-undecyl-bicyclo[2.2.1]hept-5-en-2-yl)-pentanoic acid
| Molecular Formula | C21H24INO3 |
|---|---|
| Molecular Weight | 465.08 g/mol |
| LogP | 4.4583 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.08008 |
| Heavy Atoms | 26 |
| Complexity | 835.4129 |
Chemical Identifiers
| CAS Number | 5602-52-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)I)C(=O)CC(C2)(C)C)C |
Product Overview
(E)-1,4-dimorpholinobut-2-ene-1,4-dione (CAS 5602-52-8), with molecular formula C21H24INO3 and molecular weight 465.08 g/mol. IUPAC: ethyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of (E)-1,4-dimorpholinobut-2-ene-1,4-dione
Property Insights of (E)-1,4-dimorpholinobut-2-ene-1,4-dione
The XLogP value of 4.4583 indicates that (E)-1,4-dimorpholinobut-2-ene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, (E)-1,4-dimorpholinobut-2-ene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1,4-dimorpholinobut-2-ene-1,4-dione has 1 hydrogen bond donor(s) and 4 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 (E)-1,4-dimorpholinobut-2-ene-1,4-dione?
The CAS number of (E)-1,4-dimorpholinobut-2-ene-1,4-dione is 5602-52-8.
What is the molecular formula of (E)-1,4-dimorpholinobut-2-ene-1,4-dione?
The molecular formula of (E)-1,4-dimorpholinobut-2-ene-1,4-dione is C21H24INO3.
What is the molecular weight of (E)-1,4-dimorpholinobut-2-ene-1,4-dione?
The molecular weight of (E)-1,4-dimorpholinobut-2-ene-1,4-dione is 465.08 g/mol.
Where can I buy (E)-1,4-dimorpholinobut-2-ene-1,4-dione?
You can request a quote for (E)-1,4-dimorpholinobut-2-ene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1,4-dimorpholinobut-2-ene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1,4-dimorpholinobut-2-ene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.