![ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate structure](/static/products/897/897620-26-7.png)
ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate
TL;DR: ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate (CAS 897620-26-7) is a chemical compound with molecular formula C21H21FN2O3S and molecular weight 400.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate
Also Known As: ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate, F2524-0046, (Z)-ethyl 2-(2-((4-fluorobenzoyl)imino)-6-isopropylbenzo[d]thiazol-3(2H)-yl)acetate, ethyl 2-[(2Z)-2-[(4-fluorobenzoyl)imino]-6-(propan-2-yl)-2,3-dihydro-1,3-benzothiazol-3-yl]acetate
| Molecular Formula | C21H21FN2O3S |
|---|---|
| Molecular Weight | 400.13 g/mol |
| LogP | 4.2695 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1257 |
| Heavy Atoms | 28 |
| Complexity | 1081.2189 |
Chemical Identifiers
| CAS Number | 897620-26-7 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC=C(C=C3)F |
Product Overview
ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate (CAS 897620-26-7), with molecular formula C21H21FN2O3S and molecular weight 400.13 g/mol. IUPAC: ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate
Property Insights of ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate
The XLogP value of 4.2695 indicates that ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate has 0 hydrogen bond donor(s) and 4 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-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate?
The CAS number of ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate is 897620-26-7.
What is the molecular formula of ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate?
The molecular formula of ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate is C21H21FN2O3S.
What is the molecular weight of ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate?
The molecular weight of ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate is 400.13 g/mol.
Where can I buy ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate?
You can request a quote for ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-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-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.