RefChem:118590
TL;DR: RefChem:118590 (CAS 68929-07-7) is a chemical compound with molecular formula C20H26N4O6S2 and molecular weight 482.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-ethyl-4-[(5-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol;methyl sulfate
Also Known As: Benzothiazolium, 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-5-methoxy-3-methyl-, methyl sulfate (salt), Benzothiazolium, 2-((4-(ethyl(2-hydroxyethyl)amino)phenyl)azo)-5-methoxy-3-methyl-, methyl sulfate (salt), 2-({4-[ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)-5-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate, Benzothiazolium, 2-(2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)diazenyl)-5-methoxy-3-methyl-, methyl sulfate (1:1), 2-((4-(Ethyl(2-hydroxyethyl)amino)phenyl)azo)-5-methoxy-3-methylbenzothiazolium methyl sulphate
| Molecular Formula | C20H26N4O6S2 |
|---|---|
| Molecular Weight | 482.13 g/mol |
| LogP | 3.06 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.12936 |
| Heavy Atoms | 32 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 68929-07-7 |
|---|---|
| SMILES | CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=CC(=C3)OC)C.COS(=O)(=O)[O-] |
| InChIKey | HOHKDVIHEVYZBM-UHFFFAOYSA-M |
Product Overview
RefChem:118590 (CAS 68929-07-7), with molecular formula C20H26N4O6S2 and molecular weight 482.13 g/mol. IUPAC: 2-[N-ethyl-4-[(5-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol;methyl sulfate.
Chemical Property Profile of RefChem:118590
Property Insights of RefChem:118590
The XLogP value of 3.06 indicates that RefChem:118590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting RefChem:118590 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118590 has 1 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:118590?
The CAS number of RefChem:118590 is 68929-07-7.
What is the molecular formula of RefChem:118590?
The molecular formula of RefChem:118590 is C20H26N4O6S2.
What is the molecular weight of RefChem:118590?
The molecular weight of RefChem:118590 is 482.13 g/mol.
Where can I buy RefChem:118590?
You can request a quote for RefChem:118590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118590?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.