Blue tetrazolium
TL;DR: Blue tetrazolium (CAS 101329-54-8) is a chemical compound with molecular formula C40H36Cl2N8O2 and molecular weight 730.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C40H36Cl2N8O2 |
|---|---|
| Molecular Weight | 730.23 g/mol |
| LogP | 8.43 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 730.2338 |
| Heavy Atoms | 52 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 101329-54-8 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Blue tetrazolium (CAS 101329-54-8), with molecular formula C40H36Cl2N8O2 and molecular weight 730.23 g/mol. IUPAC: 2-[4-[4-(3,5-diphenyl-1H-tetrazol-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyl-1H-tetrazole;dihydrochloride.
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
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 730.23 g/mol.
Where can I buy Blue tetrazolium?
You can request a quote for Blue tetrazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Blue tetrazolium?
Yes, KEHONG BIO provides custom synthesis services for Blue tetrazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.