RefChem:118682
TL;DR: RefChem:118682 (CAS 89923-57-9) is a chemical compound with molecular formula C17H19N5O7S2 and molecular weight 469.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-[methyl-(4-nitrophenyl)hydrazinylidene]azanium;methyl sulfate
Also Known As: Benzothiazolium, 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazen-1-yl]-, methyl sulfate (1:1), 6-Methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triaz-1-en-1-yl]-1,3-benzothiazol-3-ium methyl sulfate, Benzothiazolium, 6-methoxy-3-methyl-2-(3-methyl-3-(4-nitrophenyl)-1-triazen-1-yl)-, methyl sulfate (1:1), Benzothiazolium, 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-, methyl sulfate, N-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitroaniline;methyl sulfate
| Molecular Formula | C17H19N5O7S2 |
|---|---|
| Molecular Weight | 469.07 g/mol |
| LogP | 1.8621 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 469.0726 |
| Heavy Atoms | 31 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 89923-57-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)OC)SC1=[N+]=NN(C)C3=CC=C(C=C3)[N+](=O)[O-].COS(=O)(=O)[O-] |
| InChIKey | MXKBRGRWDGSFHA-UHFFFAOYSA-M |
Product Overview
RefChem:118682 (CAS 89923-57-9), with molecular formula C17H19N5O7S2 and molecular weight 469.07 g/mol. IUPAC: (6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-[methyl-(4-nitrophenyl)hydrazinylidene]azanium;methyl sulfate.
Chemical Property Profile of RefChem:118682
Property Insights of RefChem:118682
The XLogP value of 1.8621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118682. The TPSA of 175.0 Ų indicates high polarity, suggesting RefChem:118682 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118682 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118682?
The CAS number of RefChem:118682 is 89923-57-9.
What is the molecular formula of RefChem:118682?
The molecular formula of RefChem:118682 is C17H19N5O7S2.
What is the molecular weight of RefChem:118682?
The molecular weight of RefChem:118682 is 469.07 g/mol.
Where can I buy RefChem:118682?
You can request a quote for RefChem:118682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118682?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.