1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate
TL;DR: 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate (CAS 67367-81-1) is a chemical compound with molecular formula C22H27NO6 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ium-4-ylethanone;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate, Ethanone, 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1), 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ium-4-ylethanone; (Z)-4-hydroxy-4-oxobut-2-enoate, ETHANONE, 1-(1,2,3,5,6,7-HEXAHYDRO-s-INDACEN-4-YL)-2-(4-MORPHOLINYL)-, (Z)-2-BUT, RefChem:1084501
| Molecular Formula | C22H27NO6 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | -0.8611 |
| Topological Polar Surface Area | 108.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.18384 |
| Heavy Atoms | 29 |
| Complexity | 774.83167 |
Chemical Identifiers
| CAS Number | 67367-81-1 |
|---|---|
| SMILES | C1CC2=CC3=C(CCC3)C(=C2C1)C(=O)C[NH+]4CCOCC4.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate (CAS 67367-81-1), with molecular formula C22H27NO6 and molecular weight 401.18 g/mol. IUPAC: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ium-4-ylethanone;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate
Property Insights of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate
The XLogP value of -0.8611 indicates that 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate. Following Lipinski's Rule of Five, 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate has 2 hydrogen bond donor(s) and 5 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 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate?
The CAS number of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate is 67367-81-1.
What is the molecular formula of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate?
The molecular formula of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate is C22H27NO6.
What is the molecular weight of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate?
The molecular weight of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate is 401.18 g/mol.
Where can I buy 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate?
You can request a quote for 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-morpholinyl)ethanone maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.