XTT sodium salt
TL;DR: XTT sodium salt (CAS 111072-31-2) is a chemical compound with molecular formula C22H17N7O13S2-2 and molecular weight 651.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[2-anilino-1-[(2-methoxy-4-nitro-5-sulfonatophenyl)diazenyl]-2-oxoethylidene]hydrazinyl]-4-methoxy-2-nitrobenzenesulfonate
Also Known As: XTT sodium salt, 2,3-bis[2-Methoxy-4-nitro-5-sulfophenyl]-2H-tetrazolium-5-carboxanilide inner salt, 5-[2-[2-anilino-1-(2-methoxy-4-nitro-5-sulfonato-phenyl)azo-2-oxo-ethylidene]hydrazino]-4-methoxy-2-nitro-benzenesulfonate, 5-[2-[2-anilino-1-[(2-methoxy-4-nitro-5-sulfonatophenyl)diazenyl]-2-oxoethylidene]hydrazinyl]-4-methoxy-2-nitrobenzenesulfonate, XTT
| Molecular Formula | C22H17N7O13S2-2 |
|---|---|
| Molecular Weight | 651.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 319.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 651.0326 |
| Heavy Atoms | 44 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 111072-31-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NN=C(C(=O)NC2=CC=CC=C2)N=NC3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-] |
| InChIKey | SDLXZYXLQUWDNF-UHFFFAOYSA-L |
Product Overview
XTT sodium salt (CAS 111072-31-2), with molecular formula C22H17N7O13S2-2 and molecular weight 651.03 g/mol. IUPAC: 5-[2-[2-anilino-1-[(2-methoxy-4-nitro-5-sulfonatophenyl)diazenyl]-2-oxoethylidene]hydrazinyl]-4-methoxy-2-nitrobenzenesulfonate.
Chemical Property Profile of XTT sodium salt
Property Insights of XTT sodium salt
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for XTT sodium salt. The TPSA of 319.0 Ų indicates high polarity, suggesting XTT sodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, XTT sodium salt has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of XTT sodium salt?
The CAS number of XTT sodium salt is 111072-31-2.
What is the molecular formula of XTT sodium salt?
The molecular formula of XTT sodium salt is C22H17N7O13S2-2.
What is the molecular weight of XTT sodium salt?
The molecular weight of XTT sodium salt is 651.03 g/mol.
Where can I buy XTT sodium salt?
You can request a quote for XTT sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for XTT sodium salt?
Yes, KEHONG BIO provides custom synthesis services for XTT sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.