![Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate structure](/static/products/865/865247-25-2.png)
Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
TL;DR: Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate (CAS 865247-25-2) is a chemical compound with molecular formula C21H15N3O7S and molecular weight 453.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
Also Known As: F1366-2698, ethyl 2-[(2Z)-6-nitro-2-[(4-oxo-4H-chromene-2-carbonyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate, (Z)-ethyl 2-(6-nitro-2-((4-oxo-4H-chromene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate, Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-benzothiazol-3-yl]acetate
| Molecular Formula | C21H15N3O7S |
|---|---|
| Molecular Weight | 453.06 g/mol |
| LogP | 3.0216 |
| Topological Polar Surface Area | 134.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.06308 |
| Heavy Atoms | 32 |
| Complexity | 1513.3895 |
Chemical Identifiers
| CAS Number | 865247-25-2 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=O)C4=CC=CC=C4O3 |
Product Overview
Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate (CAS 865247-25-2), with molecular formula C21H15N3O7S and molecular weight 453.06 g/mol. IUPAC: ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
Property Insights of Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
The XLogP value of 3.0216 indicates that Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate has 0 hydrogen bond donor(s) and 8 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-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate?
The CAS number of Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate is 865247-25-2.
What is the molecular formula of Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate?
The molecular formula of Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate is C21H15N3O7S.
What is the molecular weight of Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate?
The molecular weight of Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate is 453.06 g/mol.
Where can I buy Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate?
You can request a quote for Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)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-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.