3,4-Dimorpholinocyclobut-3-ene-1,2-dione
TL;DR: 3,4-Dimorpholinocyclobut-3-ene-1,2-dione (CAS 5426-59-5) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimorpholin-4-ylcyclobut-3-ene-1,2-dione
Also Known As: 3,4-dimorpholinocyclobut-3-ene-1,2-dione, 3,4-dimorpholin-4-ylcyclobut-3-ene-1,2-dione, di-morpholin-4-yl-cyclobutenedione, 3,4-Bis(morpholin-4-yl)cyclobut-3-ene-1,2-dione, RefChem:271221
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 5426-59-5 |
|---|---|
| SMILES | C1COCCN1C2=C(C(=O)C2=O)N3CCOCC3 |
| InChIKey | PBNZEUQMHWJDTK-UHFFFAOYSA-N |
Product Overview
3,4-Dimorpholinocyclobut-3-ene-1,2-dione (CAS 5426-59-5), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: 3,4-dimorpholin-4-ylcyclobut-3-ene-1,2-dione.
Chemical Property Profile of 3,4-Dimorpholinocyclobut-3-ene-1,2-dione
Property Insights of 3,4-Dimorpholinocyclobut-3-ene-1,2-dione
The XLogP value of -0.5 indicates that 3,4-Dimorpholinocyclobut-3-ene-1,2-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.1 Ų, 3,4-Dimorpholinocyclobut-3-ene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimorpholinocyclobut-3-ene-1,2-dione 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 3,4-Dimorpholinocyclobut-3-ene-1,2-dione?
The CAS number of 3,4-Dimorpholinocyclobut-3-ene-1,2-dione is 5426-59-5.
What is the molecular formula of 3,4-Dimorpholinocyclobut-3-ene-1,2-dione?
The molecular formula of 3,4-Dimorpholinocyclobut-3-ene-1,2-dione is C12H16N2O4.
What is the molecular weight of 3,4-Dimorpholinocyclobut-3-ene-1,2-dione?
The molecular weight of 3,4-Dimorpholinocyclobut-3-ene-1,2-dione is 252.11 g/mol.
Where can I buy 3,4-Dimorpholinocyclobut-3-ene-1,2-dione?
You can request a quote for 3,4-Dimorpholinocyclobut-3-ene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimorpholinocyclobut-3-ene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimorpholinocyclobut-3-ene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.