![Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate structure](/static/products/132/1321973-99-2.png)
Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
TL;DR: Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate (CAS 1321973-99-2) is a chemical compound with molecular formula C20H19N3O5S and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
Also Known As: ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate, F1819-0081, ethyl 2-[(2Z)-5,7-dimethyl-2-[(4-nitrobenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, (Z)-ethyl 2-(5,7-dimethyl-2-((4-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
| Molecular Formula | C20H19N3O5S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 3.53204 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.10455 |
| Heavy Atoms | 29 |
| Complexity | 1175.2852 |
Chemical Identifiers
| CAS Number | 1321973-99-2 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C |
Product Overview
Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate (CAS 1321973-99-2), with molecular formula C20H19N3O5S and molecular weight 413.10 g/mol. IUPAC: ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
Property Insights of Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
The XLogP value of 3.53204 indicates that Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate 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 Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
The CAS number of Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate is 1321973-99-2.
What is the molecular formula of Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
The molecular formula of Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate is C20H19N3O5S.
What is the molecular weight of Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
The molecular weight of Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate is 413.10 g/mol.
Where can I buy Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
You can request a quote for Ethyl 2-[5,7-dimethyl-2-(4-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-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[5,7-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.