RefChem:1058165
TL;DR: RefChem:1058165 (CAS 77801-73-1) is a chemical compound with molecular formula C20H24N2O4 and molecular weight 356.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
Also Known As: 4-(1-Propyl-1,2,5,6-tetrahydropyridin-3-yl)-1H-indole fumarate, 1H-Indole, 4-(1,2,5,6-tetrahydro-1-propyl-3-pyridinyl)-, (E)-2-butenedioate (1:1), 4-(1,2,5,6-Tetrahydro-1-propyl-3-pyridinyl)-1H-indole (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole, RefChem:1058165
| Molecular Formula | C20H24N2O4 |
|---|---|
| Molecular Weight | 356.17 g/mol |
| LogP | 3.3788 |
| Topological Polar Surface Area | 93.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.1736 |
| Heavy Atoms | 26 |
| Complexity | 804.08044 |
Chemical Identifiers
| CAS Number | 77801-73-1 |
|---|---|
| SMILES | CCCN1CCC=C(C1)C2=C3C=CNC3=CC=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058165 (CAS 77801-73-1), with molecular formula C20H24N2O4 and molecular weight 356.17 g/mol. IUPAC: (E)-but-2-enedioic acid;4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole.
Chemical Property Profile of RefChem:1058165
Property Insights of RefChem:1058165
The XLogP value of 3.3788 indicates that RefChem:1058165 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058165. Following Lipinski's Rule of Five, RefChem:1058165 has 3 hydrogen bond donor(s) and 3 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 RefChem:1058165?
The CAS number of RefChem:1058165 is 77801-73-1.
What is the molecular formula of RefChem:1058165?
The molecular formula of RefChem:1058165 is C20H24N2O4.
What is the molecular weight of RefChem:1058165?
The molecular weight of RefChem:1058165 is 356.17 g/mol.
Where can I buy RefChem:1058165?
You can request a quote for RefChem:1058165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058165?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.