![Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate structure](/static/products/868/868675-06-3.png)
Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
TL;DR: Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate (CAS 868675-06-3) is a chemical compound with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
Also Known As: F1819-0356, ethyl 2-[(2Z)-2-[(4-cyanobenzoyl)imino]-5,7-dimethyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate, (Z)-ethyl 2-(2-((4-cyanobenzoyl)imino)-5,7-dimethylbenzo[d]thiazol-3(2H)-yl)acetate
| Molecular Formula | C21H19N3O3S |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 3.49552 |
| Topological Polar Surface Area | 84.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.11472 |
| Heavy Atoms | 28 |
| Complexity | 1164.5544 |
Chemical Identifiers
| CAS Number | 868675-06-3 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)C#N)C)C |
Product Overview
Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate (CAS 868675-06-3), with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol. IUPAC: ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
Property Insights of Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
The XLogP value of 3.49552 indicates that Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate has 0 hydrogen bond donor(s) and 5 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 Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
The CAS number of Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate is 868675-06-3.
What is the molecular formula of Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
The molecular formula of Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate is C21H19N3O3S.
What is the molecular weight of Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
The molecular weight of Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate is 393.11 g/mol.
Where can I buy Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
You can request a quote for Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[2-(4-cyanobenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.