![ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE structure](/static/products/489/489433-22-9.png)
ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE
TL;DR: ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE (CAS 489433-22-9) is a chemical compound with molecular formula C16H16F3N3O5S and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-acetamido-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino]-1,3-benzothiazole-6-carboxylate
Also Known As: ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE, (S)-ethyl 2-((2-acetamido-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate, 2-(1-Acetylamino-2,2,2-trifluoro-1-methoxycarbonyl-ethylamino)-benzothiazole-6-carboxylic acid ethyl ester, Ethyl 2-([1-(acetylamino)-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino)-1,3-benzothiazole-6-carboxylate #, ethyl 2-[(2-acetamido-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino]-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C16H16F3N3O5S |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.07626 |
| Heavy Atoms | 28 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 489433-22-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(C(=O)OC)(C(F)(F)F)NC(=O)C |
| InChIKey | OZAYYZSYGMTCBX-UHFFFAOYSA-N |
Product Overview
ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE (CAS 489433-22-9), with molecular formula C16H16F3N3O5S and molecular weight 419.08 g/mol. IUPAC: ethyl 2-[(2-acetamido-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino]-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE
Property Insights of ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE
The XLogP value of 3.8 indicates that ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE. Following Lipinski's Rule of Five, ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE?
The CAS number of ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE is 489433-22-9.
What is the molecular formula of ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE?
The molecular formula of ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE is C16H16F3N3O5S.
What is the molecular weight of ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE?
The molecular weight of ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE is 419.08 g/mol.
Where can I buy ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE?
You can request a quote for ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 2-{[1-(ACETYLAMINO)-2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)ETHYL]AMINO}-1,3-BENZOTHIAZOLE-6-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.