Blue tetrazolium
TL;DR: Blue tetrazolium (CAS 101329-54-8) is a chemical compound with molecular formula C40H36Cl2N8O2 and molecular weight 730.2338 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[4-(3,5-diphenyl-1H-tetrazol-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyl-1H-tetrazole;dihydrochloride
Also Known As: Blue tetrazolium, Tetrazolium Blue Chloride, 4-Naphthalen-1-yl-4-oxo-butyricacid, 4-(naphthalen-1-yl)-4-oxobutanoic acid, 2,2'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(3,5-diphenyl-2,3-dihydro-1h-tetrazole) dihydrochloride
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C40H36Cl2N8O2 |
| Molecular Weight | 730.2338 g/mol |
| XLogP | 8.43 |
| Topological Polar Surface Area (TPSA) | 80.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 730.2338 Da |
| Heavy Atoms | 52 |
| Complexity | 1060.0 |
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3NC(=NN3C4=CC=CC=C4)C5=CC=CC=C5)OC)N6NC(=NN6C7=CC=CC=C7)C8=CC=CC=C8.Cl.Cl |
| InChIKey | RCEHREKDVGHYAM-UHFFFAOYSA-N |
Chemical Property Profile of Blue tetrazolium
Property Insights of Blue tetrazolium
The XLogP value of 8.43 indicates that Blue tetrazolium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Blue tetrazolium. Following Lipinski's Rule of Five, Blue tetrazolium has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Blue tetrazolium?
The CAS number of Blue tetrazolium is 101329-54-8.
What is the molecular formula of Blue tetrazolium?
The molecular formula of Blue tetrazolium is C40H36Cl2N8O2.
What is the molecular weight of Blue tetrazolium?
The molecular weight of Blue tetrazolium is 730.2338 g/mol.
Where can I buy Blue tetrazolium?
You can request a quote for Blue tetrazolium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Blue tetrazolium?
Yes, CoreyChem provides custom synthesis services for Blue tetrazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.