![2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate structure](/static/products/3136/31368-35-1.webp)
2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate
TL;DR: 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate (CAS 31368-35-1) is a chemical compound with molecular formula C23H29N5O5S2 and molecular weight 519.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-butyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]propanenitrile;methyl sulfate
Also Known As: 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate, 2-((4-(N-Butyl-(2-cyanoethyl)amino)phenyl)azo)-6-mehtoxy-3-methylbenzothiazolium, methyl sulfate, Benzothiazolium, 2-((4-(butyl(2-cyanoethyl)amino)phenyl)azo)-6-methoxy-3-methyl-, methyl sulfate, Benzothiazolium, 2-(2-(4-(butyl(2-cyanoethyl)amino)phenyl)diazenyl)-6-methoxy-3-methyl-, methyl sulfate (1:1), Benzothiazolium, 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methyl-, methyl sulfate
| Molecular Formula | C23H29N5O5S2 |
|---|---|
| Molecular Weight | 519.16 g/mol |
| LogP | 4.76298 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.161 |
| Heavy Atoms | 35 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 31368-35-1 |
|---|---|
| SMILES | CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.COS(=O)(=O)[O-] |
| InChIKey | BZNHGBSVURHYCR-UHFFFAOYSA-M |
Product Overview
2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate (CAS 31368-35-1), with molecular formula C23H29N5O5S2 and molecular weight 519.16 g/mol. IUPAC: 3-[N-butyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]propanenitrile;methyl sulfate.
Chemical Property Profile of 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate
Property Insights of 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate
The XLogP value of 4.76298 indicates that 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.0 Ų indicates high polarity, suggesting 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate?
The CAS number of 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate is 31368-35-1.
What is the molecular formula of 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate?
The molecular formula of 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate is C23H29N5O5S2.
What is the molecular weight of 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate?
The molecular weight of 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate is 519.16 g/mol.
Where can I buy 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate?
You can request a quote for 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.