IR-792 perchlorate
TL;DR: IR-792 perchlorate (CAS 207399-10-8) is a chemical compound with molecular formula C42H49ClN2O4S and molecular weight 712.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole perchlorate
Also Known As: IR-792 perchlorate, (2Z)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;perchlorate, 2-[2-[3-[(1,3-Dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene]-2-(phenylthio)-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindolium perchlorate
| Molecular Formula | C42H49ClN2O4S |
|---|---|
| Molecular Weight | 712.31 g/mol |
| LogP | 6.5214 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 712.3102 |
| Heavy Atoms | 50 |
| Complexity | 1827.3177 |
Chemical Identifiers
| CAS Number | 207399-10-8 |
|---|---|
| SMILES | CCCN\1C2=CC=CC=C2C(/C1=C/C=C/3\CCCC(=C3SC4=CC=CC=C4)/C=C/C5=[N+](C6=CC=CC=C6C5(C)C)CCC)(C)C.[O-]Cl(=O)(=O)=O |
Product Overview
IR-792 perchlorate (CAS 207399-10-8), with molecular formula C42H49ClN2O4S and molecular weight 712.31 g/mol. IUPAC: (2Z)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole perchlorate.
Chemical Property Profile of IR-792 perchlorate
Property Insights of IR-792 perchlorate
The XLogP value of 6.5214 indicates that IR-792 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-792 perchlorate. Following Lipinski's Rule of Five, IR-792 perchlorate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IR-792 perchlorate?
The CAS number of IR-792 perchlorate is 207399-10-8.
What is the molecular formula of IR-792 perchlorate?
The molecular formula of IR-792 perchlorate is C42H49ClN2O4S.
What is the molecular weight of IR-792 perchlorate?
The molecular weight of IR-792 perchlorate is 712.31 g/mol.
Where can I buy IR-792 perchlorate?
You can request a quote for IR-792 perchlorate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IR-792 perchlorate?
Yes, KEHONG BIO provides custom synthesis services for IR-792 perchlorate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.