6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole
TL;DR: 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole (CAS 98759-73-0) is a chemical compound with molecular formula C17H15N5S and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzothiazol-6-yldiazenyl)-N-methylanilino]propanenitrile
Also Known As: NIOSH/UG3350000, NIOSH/UG0850000, 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole, 3-(p-(6-Benzothiazolylazo)-N-methylanilino)propionitrile, 6-((p-(N-beta-Cyanoethyl-N-methylamino)phenyl)azo)benzothiazole
| Molecular Formula | C17H15N5S |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.10483 |
| Heavy Atoms | 23 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 98759-73-0 |
|---|---|
| SMILES | CN(CCC#N)C1=CC=C(C=C1)N=NC2=CC3=C(C=C2)N=CS3 |
| InChIKey | ZJMFUDSDHHVADM-UHFFFAOYSA-N |
Product Overview
6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole (CAS 98759-73-0), with molecular formula C17H15N5S and molecular weight 321.10 g/mol. IUPAC: 3-[4-(1,3-benzothiazol-6-yldiazenyl)-N-methylanilino]propanenitrile.
Chemical Property Profile of 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole
Property Insights of 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole
The XLogP value of 4.0 indicates that 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole. Following Lipinski's Rule of Five, 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole has 0 hydrogen bond donor(s) and 6 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 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole?
The CAS number of 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole is 98759-73-0.
What is the molecular formula of 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole?
The molecular formula of 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole is C17H15N5S.
What is the molecular weight of 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole?
The molecular weight of 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole is 321.10 g/mol.
Where can I buy 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole?
You can request a quote for 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-(N-2-Cyanoethyl-N-methylamino)phenylazo)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.