2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-
TL;DR: 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)- (CAS 68239-28-1) is a chemical compound with molecular formula C8H8Cl3NO2 and molecular weight 254.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trichloro-3-morpholin-4-ylcyclobut-2-en-1-one
Also Known As: 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-, 3-(4-Morpholino)-2,2,4-trichloro-3-cyclobuten-1-one, 2,4,4-Trichloro-3-(morpholin-4-yl)-2-cyclobuten-1-one, 2,4,4-trichloro-3-morpholin-4-ylcyclobut-2-en-1-one, 2,4,4-Trichloro-3-(4-morpholinyl)-2-cyclobuten-1-one
| Molecular Formula | C8H8Cl3NO2 |
|---|---|
| Molecular Weight | 254.96 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.96207 |
| Heavy Atoms | 14 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 68239-28-1 |
|---|---|
| SMILES | C1COCCN1C2=C(C(=O)C2(Cl)Cl)Cl |
| InChIKey | YKTVEZMNYLQTDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)- (CAS 68239-28-1), with molecular formula C8H8Cl3NO2 and molecular weight 254.96 g/mol. IUPAC: 2,4,4-trichloro-3-morpholin-4-ylcyclobut-2-en-1-one.
Chemical Property Profile of 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-
Property Insights of 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)- has 0 hydrogen bond donor(s) and 3 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 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-?
The CAS number of 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)- is 68239-28-1.
What is the molecular formula of 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-?
The molecular formula of 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)- is C8H8Cl3NO2.
What is the molecular weight of 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-?
The molecular weight of 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)- is 254.96 g/mol.
Where can I buy 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-?
You can request a quote for 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.