2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate
TL;DR: 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate (CAS 68938-65-8) is a chemical compound with molecular formula C24H21N5O4S and molecular weight 475.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-ethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl benzoate
Also Known As: 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate, 2-[ETHYL[4-[(6-NITROBENZOTHIAZOL-2-YL)AZO]PHENYL]AMINO]ETHYL BENZOATE, Ethanol, 2-(ethyl(4-((6-nitro-2-benzothiazolyl)azo)phenyl)amino)-, benzoate (ester), Ethanol, 2-(ethyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-, 1-benzoate, Ethanol, 2-[ethyl[4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-, benzoate (ester)
| Molecular Formula | C24H21N5O4S |
|---|---|
| Molecular Weight | 475.13 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.13144 |
| Heavy Atoms | 34 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 68938-65-8 |
|---|---|
| SMILES | CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
| InChIKey | OOFQOIAJJICHQY-UHFFFAOYSA-N |
Product Overview
2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate (CAS 68938-65-8), with molecular formula C24H21N5O4S and molecular weight 475.13 g/mol. IUPAC: 2-[N-ethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl benzoate.
Chemical Property Profile of 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate
Property Insights of 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate
The XLogP value of 6.4 indicates that 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate?
The CAS number of 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate is 68938-65-8.
What is the molecular formula of 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate?
The molecular formula of 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate is C24H21N5O4S.
What is the molecular weight of 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate?
The molecular weight of 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate is 475.13 g/mol.
Where can I buy 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate?
You can request a quote for 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.