![Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate structure](/static/products/865/865248-56-2.png)
Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
TL;DR: Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate (CAS 865248-56-2) is a chemical compound with molecular formula C20H18N4O6S and molecular weight 442.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
Also Known As: F1366-3128, ethyl 2-[(2Z)-6-acetamido-2-[(2-nitrobenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate, (Z)-ethyl 2-(6-acetamido-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate, Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-benzothiazol-3-yl]acetate
| Molecular Formula | C20H18N4O6S |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 2.8736 |
| Topological Polar Surface Area | 132.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.0947 |
| Heavy Atoms | 31 |
| Complexity | 1260.0337 |
Chemical Identifiers
| CAS Number | 865248-56-2 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate (CAS 865248-56-2), with molecular formula C20H18N4O6S and molecular weight 442.09 g/mol. IUPAC: ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
Property Insights of Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
The XLogP value of 2.8736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate. The TPSA of 132.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate has 1 hydrogen bond donor(s) and 7 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-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
The CAS number of Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate is 865248-56-2.
What is the molecular formula of Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
The molecular formula of Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate is C20H18N4O6S.
What is the molecular weight of Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
The molecular weight of Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate is 442.09 g/mol.
Where can I buy Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
You can request a quote for Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-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-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[6-acetamido-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.