1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate
TL;DR: 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate (CAS 67367-77-5) is a chemical compound with molecular formula C22H27NO5 and molecular weight 385.19 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-pyrrolidin-1-ium-1-ylethanone;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate, Ethanone, 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)-, (Z)-2-butenedioate (1:1), 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ium-1-ylethanone; (Z)-4-hydroxy-4-oxobut-2-enoate, ETHANONE, 1-(1,2,3,5,6,7-HEXAHYDRO-s-INDACEN-4-YL)-2-(1-PYRROLIDINYL)-, (Z)-2-BU, RefChem:1084500
| Molecular Formula | C22H27NO5 |
|---|---|
| Molecular Weight | 385.19 g/mol |
| LogP | -0.0975 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.18893 |
| Heavy Atoms | 28 |
| Complexity | 757.3854 |
Chemical Identifiers
| CAS Number | 67367-77-5 |
|---|---|
| SMILES | C1CC[NH+](C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate (CAS 67367-77-5), with molecular formula C22H27NO5 and molecular weight 385.19 g/mol. IUPAC: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ium-1-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-(1-pyrrolidinyl)ethanone maleate
Property Insights of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate
The XLogP value of -0.0975 indicates that 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.94 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-(1-pyrrolidinyl)ethanone maleate. Following Lipinski's Rule of Five, 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate has 2 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 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate?
The CAS number of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate is 67367-77-5.
What is the molecular formula of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate?
The molecular formula of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate is C22H27NO5.
What is the molecular weight of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate?
The molecular weight of 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate is 385.19 g/mol.
Where can I buy 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate?
You can request a quote for 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)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-(1-pyrrolidinyl)ethanone maleate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)ethanone maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.