2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one
TL;DR: 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one (CAS 13178-31-9) is a chemical compound with molecular formula C8H9Cl4NO2 and molecular weight 290.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,4-tetrachloro-1-morpholin-4-ylbut-3-en-1-one
Also Known As: 4-(2,3,4,4-Tetrachloro-3-butenoyl)morpholine, Morpholine, 4-(2,3,4,4-tetrachloro-3-butenoyl)-, Morpholine, 4-(2,3,4,4-tetrachloro-1-oxo-3-butenyl)-, 2,3,4,4-Tetrachlor-3-butensaeure-morpholid, 4-(2,3,4,4-Tetrachloro-1-oxo-3-butenyl)morpholine
| Molecular Formula | C8H9Cl4NO2 |
|---|---|
| Molecular Weight | 290.94 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.93875 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 13178-31-9 |
|---|---|
| SMILES | C1COCCN1C(=O)C(C(=C(Cl)Cl)Cl)Cl |
| InChIKey | CIQLKIDQXGHLJD-UHFFFAOYSA-N |
Product Overview
2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one (CAS 13178-31-9), with molecular formula C8H9Cl4NO2 and molecular weight 290.94 g/mol. IUPAC: 2,3,4,4-tetrachloro-1-morpholin-4-ylbut-3-en-1-one.
Chemical Property Profile of 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one
Property Insights of 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one. With a topological polar surface area (TPSA) of 29.5 Ų, 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one has 0 hydrogen bond donor(s) and 2 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 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one?
The CAS number of 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one is 13178-31-9.
What is the molecular formula of 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one?
The molecular formula of 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one is C8H9Cl4NO2.
What is the molecular weight of 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one?
The molecular weight of 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one is 290.94 g/mol.
Where can I buy 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one?
You can request a quote for 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,4-Tetrachloro-1-(morpholin-4-yl)but-3-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.