1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1)
TL;DR: 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1) (CAS 37126-29-7) is a chemical compound with molecular formula C26H32N2O4 and molecular weight 436.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-hydroxy-4-oxobut-2-enoate;3-methyl-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)-2H-indole
Also Known As: 2,3-Dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-1H-indole fumarate, 1H-INDOLE, 2,3-DIHYDRO-3-METHYL-3-PHENYL-1-(2-PIPERIDINOETHYL)-, FUMARATE (1:1), (E)-4-hydroxy-4-oxobut-2-enoate; 3-methyl-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)-2H-indole, RefChem:1058155
| Molecular Formula | C26H32N2O4 |
|---|---|
| Molecular Weight | 436.24 g/mol |
| LogP | 1.2585 |
| Topological Polar Surface Area | 85.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.2362 |
| Heavy Atoms | 32 |
| Complexity | 921.8529 |
Chemical Identifiers
| CAS Number | 37126-29-7 |
|---|---|
| SMILES | CC1(CN(C2=CC=CC=C21)CC[NH+]3CCCCC3)C4=CC=CC=C4.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1) (CAS 37126-29-7), with molecular formula C26H32N2O4 and molecular weight 436.24 g/mol. IUPAC: (E)-4-hydroxy-4-oxobut-2-enoate;3-methyl-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)-2H-indole.
Chemical Property Profile of 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1)
Property Insights of 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1)
The XLogP value of 1.2585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1). The TPSA of 85.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1). Following Lipinski's Rule of Five, 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (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 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1)?
The CAS number of 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1) is 37126-29-7.
What is the molecular formula of 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1)?
The molecular formula of 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1) is C26H32N2O4.
What is the molecular weight of 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1)?
The molecular weight of 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1) is 436.24 g/mol.
Where can I buy 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1)?
You can request a quote for 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole, 2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.