2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate
TL;DR: 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate (CAS 42773-77-3) is a chemical compound with molecular formula C28H34N2O6 and molecular weight 494.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-3-phenyl-1-(3-piperidin-1-ium-1-ylpropyl)indol-2-one;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate, 1,3-Dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-2H-indol-2-one fumarate hydrate, 3-ethoxy-3-phenyl-1-(3-piperidin-1-ium-1-ylpropyl)indol-2-one; (E)-4-hydroxy-4-oxobut-2-enoate, RefChem:1065258
| Molecular Formula | C28H34N2O6 |
|---|---|
| Molecular Weight | 494.24 g/mol |
| LogP | 1.1493 |
| Topological Polar Surface Area | 111.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.2417 |
| Heavy Atoms | 36 |
| Complexity | 1048.7194 |
Chemical Identifiers
| CAS Number | 42773-77-3 |
|---|---|
| SMILES | CCOC1(C2=CC=CC=C2N(C1=O)CCC[NH+]3CCCCC3)C4=CC=CC=C4.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate (CAS 42773-77-3), with molecular formula C28H34N2O6 and molecular weight 494.24 g/mol. IUPAC: 3-ethoxy-3-phenyl-1-(3-piperidin-1-ium-1-ylpropyl)indol-2-one;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate
Property Insights of 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate
The XLogP value of 1.1493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate. The TPSA of 111.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate. Following Lipinski's Rule of Five, 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate 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 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate?
The CAS number of 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate is 42773-77-3.
What is the molecular formula of 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate?
The molecular formula of 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate is C28H34N2O6.
What is the molecular weight of 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate?
The molecular weight of 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate is 494.24 g/mol.
Where can I buy 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate?
You can request a quote for 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.