IR-786 perchlorate
TL;DR: IR-786 perchlorate (CAS 102185-03-5) is a chemical compound with molecular formula C32H36Cl2N2O4 and molecular weight 582.21 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 perchlorate
Also Known As: IR-786 perchlorate, trimethylindolium perchlorate, IR 786, 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;perchlorate, 2-ylidene]ethylidene)-1-cyclohexen-1-yl]ethenyl)-1,3,3-
| Molecular Formula | C32H36Cl2N2O4 |
|---|---|
| Molecular Weight | 582.21 g/mol |
| LogP | 3.4075 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 582.2052 |
| Heavy Atoms | 40 |
| Complexity | 1453.2539 |
Chemical Identifiers
| CAS Number | 102185-03-5 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)Cl)C)C.[O-]Cl(=O)(=O)=O |
Product Overview
IR-786 perchlorate (CAS 102185-03-5), with molecular formula C32H36Cl2N2O4 and molecular weight 582.21 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 perchlorate.
Chemical Property Profile of IR-786 perchlorate
Property Insights of IR-786 perchlorate
The XLogP value of 3.4075 indicates that IR-786 perchlorate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for IR-786 perchlorate. Following Lipinski's Rule of Five, IR-786 perchlorate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IR-786 perchlorate?
The CAS number of IR-786 perchlorate is 102185-03-5.
What is the molecular formula of IR-786 perchlorate?
The molecular formula of IR-786 perchlorate is C32H36Cl2N2O4.
What is the molecular weight of IR-786 perchlorate?
The molecular weight of IR-786 perchlorate is 582.21 g/mol.
Where can I buy IR-786 perchlorate?
You can request a quote for IR-786 perchlorate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IR-786 perchlorate?
Yes, KEHONG BIO provides custom synthesis services for IR-786 perchlorate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.