2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1)
TL;DR: 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1) (CAS 42773-90-0) is a chemical compound with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-(2-oxo-3-phenyl-3H-indol-1-yl)propyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1), 1,3-Dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-2H-indol-2-one fumarate hydrate, dimethyl-[3-(2-oxo-3-phenyl-3H-indol-1-yl)propyl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate, RefChem:1065247
| Molecular Formula | C23H26N2O5 |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 0.0768 |
| Topological Polar Surface Area | 102.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.18417 |
| Heavy Atoms | 30 |
| Complexity | 892.8193 |
Chemical Identifiers
| CAS Number | 42773-90-0 |
|---|---|
| SMILES | C[NH+](C)CCCN1C2=CC=CC=C2C(C1=O)C3=CC=CC=C3.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1) (CAS 42773-90-0), with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol. IUPAC: dimethyl-[3-(2-oxo-3-phenyl-3H-indol-1-yl)propyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1)
Property Insights of 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1)
The XLogP value of 0.0768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1). The TPSA of 102.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1). Following Lipinski's Rule of Five, 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1) 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 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1)?
The CAS number of 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1) is 42773-90-0.
What is the molecular formula of 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1)?
The molecular formula of 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1) is C23H26N2O5.
What is the molecular weight of 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1)?
The molecular weight of 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1) is 410.18 g/mol.
Where can I buy 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1)?
You can request a quote for 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1) 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-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.