MJ-8592-1 free base
TL;DR: MJ-8592-1 free base (CAS 42011-54-1) is a chemical compound with molecular formula C21H23N3 and molecular weight 317.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]methanimine
Also Known As: MJ-8592-1 free base, 2-(3-Indolyl)-1-(N-tert-butylformimidoyl)indoline, 2,3'-Bi-1H-indole, 1-(((1,1-dimethylethyl)imino)methyl)-2,3-dihydro-, 2-Propanamine, N-((2,3-dihydro(2,3'-bi-1H-indol)-1-yl)methylene)-2-methyl-, 1-[(tert-Butylimino)methyl]-2-(1H-indol-3-yl)indoline
| Molecular Formula | C21H23N3 |
|---|---|
| Molecular Weight | 317.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.1892 |
| Heavy Atoms | 24 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 42011-54-1 |
|---|---|
| SMILES | CC(C)(C)N=CN1C(CC2=CC=CC=C21)C3=CNC4=CC=CC=C43 |
| InChIKey | ZFHGVCJIJIWZOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MJ-8592-1 free base (CAS 42011-54-1), with molecular formula C21H23N3 and molecular weight 317.19 g/mol. IUPAC: N-tert-butyl-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]methanimine.
Chemical Property Profile of MJ-8592-1 free base
Property Insights of MJ-8592-1 free base
The XLogP value of 4.1 indicates that MJ-8592-1 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, MJ-8592-1 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MJ-8592-1 free base has 1 hydrogen bond donor(s) and 1 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 MJ-8592-1 free base?
The CAS number of MJ-8592-1 free base is 42011-54-1.
What is the molecular formula of MJ-8592-1 free base?
The molecular formula of MJ-8592-1 free base is C21H23N3.
What is the molecular weight of MJ-8592-1 free base?
The molecular weight of MJ-8592-1 free base is 317.19 g/mol.
Where can I buy MJ-8592-1 free base?
You can request a quote for MJ-8592-1 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MJ-8592-1 free base?
Yes, KEHONG BIO provides custom synthesis services for MJ-8592-1 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.