tetranitrotetrazolium blue
TL;DR: tetranitrotetrazolium blue (CAS 42798-98-1) is a chemical compound with molecular formula C40H28N12O10+2 and molecular weight 836.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-[3,5-bis(4-nitrophenyl)tetrazol-3-ium-2-yl]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-bis(4-nitrophenyl)tetrazol-3-ium
Also Known As: tetranitrotetrazolium blue, J1.618.206K, 7-Bromo-1,2,3,4-tetrahydro-acridine-9-carboxylicacid, 3,3'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis[2,5-bis(4-nitrophenyl)-2h-tetrazol-3-ium], 2,2'-(3,3'-Dimethoxy-4,4'-biphenylylene)bis[3,5-bis(4-nitrophenyl)-2H-tetrazole-3-ium]
| Molecular Formula | C40H28N12O10+2 |
|---|---|
| Molecular Weight | 836.21 g/mol |
| LogP | 11.7 |
| Topological Polar Surface Area | 271.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 836.20514 |
| Heavy Atoms | 62 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 42798-98-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3N=C(N=[N+]3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-])OC)N6N=C(N=[N+]6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-] |
| InChIKey | QRQUSFPENQNKGQ-UHFFFAOYSA-N |
Product Overview
tetranitrotetrazolium blue (CAS 42798-98-1), with molecular formula C40H28N12O10+2 and molecular weight 836.21 g/mol. IUPAC: 2-[4-[4-[3,5-bis(4-nitrophenyl)tetrazol-3-ium-2-yl]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-bis(4-nitrophenyl)tetrazol-3-ium.
Chemical Property Profile of tetranitrotetrazolium blue
Property Insights of tetranitrotetrazolium blue
The XLogP value of 11.7 indicates that tetranitrotetrazolium blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 271.0 Ų indicates high polarity, suggesting tetranitrotetrazolium blue may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tetranitrotetrazolium blue has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tetranitrotetrazolium blue?
The CAS number of tetranitrotetrazolium blue is 42798-98-1.
What is the molecular formula of tetranitrotetrazolium blue?
The molecular formula of tetranitrotetrazolium blue is C40H28N12O10+2.
What is the molecular weight of tetranitrotetrazolium blue?
The molecular weight of tetranitrotetrazolium blue is 836.21 g/mol.
Where can I buy tetranitrotetrazolium blue?
You can request a quote for tetranitrotetrazolium blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tetranitrotetrazolium blue?
Yes, KEHONG BIO provides custom synthesis services for tetranitrotetrazolium blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.