3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)-
TL;DR: 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)- (CAS 68239-27-0) is a chemical compound with molecular formula C8H8ClNO3 and molecular weight 201.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-morpholin-4-ylcyclobut-3-ene-1,2-dione
Also Known As: 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)-, 3-Chloro-4-(4-morpholino)-3-cyclobutene-1,2-dione, 3-chloro-4- -3-cyclobutene-1,2-dione, 3-Chloro-4-(morpholin-4-yl)-3-cyclobutene-1,2-dione, 3-chloro-4-morpholin-4-ylcyclobut-3-ene-1,2-dione
| Molecular Formula | C8H8ClNO3 |
|---|---|
| Molecular Weight | 201.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.01927 |
| Heavy Atoms | 13 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 68239-27-0 |
|---|---|
| SMILES | C1COCCN1C2=C(C(=O)C2=O)Cl |
| InChIKey | MRSXFXHLKHAXQI-UHFFFAOYSA-N |
Product Overview
3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)- (CAS 68239-27-0), with molecular formula C8H8ClNO3 and molecular weight 201.02 g/mol. IUPAC: 3-chloro-4-morpholin-4-ylcyclobut-3-ene-1,2-dione.
Chemical Property Profile of 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)-
Property Insights of 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)-. With a topological polar surface area (TPSA) of 46.6 Ų, 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)- has 0 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 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)-?
The CAS number of 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)- is 68239-27-0.
What is the molecular formula of 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)-?
The molecular formula of 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)- is C8H8ClNO3.
What is the molecular weight of 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)-?
The molecular weight of 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)- is 201.02 g/mol.
Where can I buy 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)-?
You can request a quote for 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclobutene-1,2-dione, 3-chloro-4-(4-morpholinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.