Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
TL;DR: Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate (CAS 6282-13-9) is a chemical compound with molecular formula C24H19FN2O4S and molecular weight 450.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
Also Known As: ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate, Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-benzothiazol-3-yl]acetate
| Molecular Formula | C24H19FN2O4S |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 4.9384 |
| Topological Polar Surface Area | 69.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.10495 |
| Heavy Atoms | 32 |
| Complexity | 1345.1305 |
Chemical Identifiers
| CAS Number | 6282-13-9 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=CC=C3OC4=CC=CC=C4)F |
Product Overview
Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate (CAS 6282-13-9), with molecular formula C24H19FN2O4S and molecular weight 450.10 g/mol. IUPAC: ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
Property Insights of Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
The XLogP value of 4.9384 indicates that Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-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-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
The CAS number of Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate is 6282-13-9.
What is the molecular formula of Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
The molecular formula of Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate is C24H19FN2O4S.
What is the molecular weight of Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
The molecular weight of Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate is 450.10 g/mol.
Where can I buy Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
You can request a quote for Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)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-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[4-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.