RefChem:1058217
TL;DR: RefChem:1058217 (CAS 56825-65-1) is a chemical compound with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(5-methoxy-2-methyl-1-phenylindol-3-yl)-N-methylmethanamine
Also Known As: N,2-Dimethyl-5-methoxy-1-phenyl-1H-indole-3-methanamine (Z)-2-butenedioate (1:1), 1H-Indole-3-methanamine, N,2-dimethyl-5-methoxy-1-phenyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(5-methoxy-2-methyl-1-phenylindol-3-yl)-N-methylmethanamine, RefChem:1058217
| Molecular Formula | C22H24N2O5 |
|---|---|
| Molecular Weight | 396.17 g/mol |
| LogP | 3.37872 |
| Topological Polar Surface Area | 100.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.16852 |
| Heavy Atoms | 29 |
| Complexity | 1006.6087 |
Chemical Identifiers
| CAS Number | 56825-65-1 |
|---|---|
| SMILES | CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OC)CNC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058217 (CAS 56825-65-1), with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(5-methoxy-2-methyl-1-phenylindol-3-yl)-N-methylmethanamine.
Chemical Property Profile of RefChem:1058217
Property Insights of RefChem:1058217
The XLogP value of 3.37872 indicates that RefChem:1058217 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.79 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058217. Following Lipinski's Rule of Five, RefChem:1058217 has 3 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 RefChem:1058217?
The CAS number of RefChem:1058217 is 56825-65-1.
What is the molecular formula of RefChem:1058217?
The molecular formula of RefChem:1058217 is C22H24N2O5.
What is the molecular weight of RefChem:1058217?
The molecular weight of RefChem:1058217 is 396.17 g/mol.
Where can I buy RefChem:1058217?
You can request a quote for RefChem:1058217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058217?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.