Compound 76-805
TL;DR: Compound 76-805 (CAS 117345-88-7) is a chemical compound with molecular formula C25H29I2N3 and molecular weight 625.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[6-phenyl-3-(trimethylazaniumyl)phenanthridin-8-yl]azanium diiodide
Also Known As: Compound 76-805, NIOSH/BS3100000, 6-Phenylphenanthridine-3,8-bis(trimethylammonium iodide), N,N,N,N',N',N'-Hexamethyl-6-phenyl-3,8-phenanthridinediaminium diiodide, 3,8-Phenanthridinediaminium, N,N,N,N',N',N'-hexamethyl-6-phenyl-, diiodide
| Molecular Formula | C25H29I2N3 |
|---|---|
| Molecular Weight | 625.05 g/mol |
| LogP | -0.5436 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 625.0451 |
| Heavy Atoms | 30 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 117345-88-7 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC2=C(N=C3C=C(C=CC3=C2C=C1)[N+](C)(C)C)C4=CC=CC=C4.[I-].[I-] |
| InChIKey | UOKNTNXWHGZPQS-UHFFFAOYSA-L |
Product Overview
Compound 76-805 (CAS 117345-88-7), with molecular formula C25H29I2N3 and molecular weight 625.05 g/mol. IUPAC: trimethyl-[6-phenyl-3-(trimethylazaniumyl)phenanthridin-8-yl]azanium diiodide.
Chemical Property Profile of Compound 76-805
Property Insights of Compound 76-805
The XLogP value of -0.5436 indicates that Compound 76-805 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 12.9 Ų, Compound 76-805 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Compound 76-805 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Compound 76-805?
The CAS number of Compound 76-805 is 117345-88-7.
What is the molecular formula of Compound 76-805?
The molecular formula of Compound 76-805 is C25H29I2N3.
What is the molecular weight of Compound 76-805?
The molecular weight of Compound 76-805 is 625.05 g/mol.
Where can I buy Compound 76-805?
You can request a quote for Compound 76-805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound 76-805?
Yes, KEHONG BIO provides custom synthesis services for Compound 76-805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.