IR775 compound
TL;DR: IR775 compound (CAS 69415-17-4) is a chemical compound with molecular formula C32H36ClN2+ and molecular weight 483.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole
Also Known As: IR775 compound, 2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole, 2-(2-(2-CHLORO-3-[2-(1,3,3-TRIMETHYL-2,3-DIHYDRO-1H-2-INDOLYLIDEN)ETHYLIDENE]-1-CYCLOHEXENYL)-1-ETHENYL)-1,3,3-TRIMETHYL-3H-INDOLIUM, acetyloxymethyl 1-acetyloxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate, 2-(2-(2-Chloro-3-(2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-1,3,3-trimethyl-3H-indolium
| Molecular Formula | C32H36ClN2+ |
|---|---|
| Molecular Weight | 483.26 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 483.2567 |
| Heavy Atoms | 35 |
| Complexity | 931.0 |
Chemical Identifiers
| CAS Number | 69415-17-4 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)Cl)C)C |
| InChIKey | GDIYMWAMJKRXRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
IR775 compound (CAS 69415-17-4), with molecular formula C32H36ClN2+ and molecular weight 483.26 g/mol. IUPAC: 2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole.
Chemical Property Profile of IR775 compound
Property Insights of IR775 compound
The XLogP value of 7.4 indicates that IR775 compound is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.3 Ų, IR775 compound exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IR775 compound has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IR775 compound?
The CAS number of IR775 compound is 69415-17-4.
What is the molecular formula of IR775 compound?
The molecular formula of IR775 compound is C32H36ClN2+.
What is the molecular weight of IR775 compound?
The molecular weight of IR775 compound is 483.26 g/mol.
Where can I buy IR775 compound?
You can request a quote for IR775 compound directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IR775 compound?
Yes, KEHONG BIO provides custom synthesis services for IR775 compound and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.