![ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate structure](/static/products/354/354772-94-4.png)
ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate
TL;DR: ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate (CAS 354772-94-4) is a chemical compound with molecular formula C16H18F3N3O4S and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(propan-2-yloxycarbonylamino)propanoate
Also Known As: ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate, ethyl 2-(benzothiazol-2-ylamino)-3,3,3-trifluoro-2-[(methylethoxy)carbonylamin o]propanoate, ethyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(propan-2-yloxycarbonylamino)propanoate, ethyl N-1,3-benzothiazol-2-yl-3,3,3-trifluoro-2-{[(propan-2-yloxy)carbonyl]amino}alaninate
| Molecular Formula | C16H18F3N3O4S |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 3.6645 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.09702 |
| Heavy Atoms | 27 |
| Complexity | 791.58856 |
Chemical Identifiers
| CAS Number | 354772-94-4 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=NC2=CC=CC=C2S1)NC(=O)OC(C)C |
Product Overview
ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate (CAS 354772-94-4), with molecular formula C16H18F3N3O4S and molecular weight 405.10 g/mol. IUPAC: ethyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(propan-2-yloxycarbonylamino)propanoate.
Chemical Property Profile of ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate
Property Insights of ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate
The XLogP value of 3.6645 indicates that ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate. Following Lipinski's Rule of Five, ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate has 2 hydrogen bond donor(s) and 7 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-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate?
The CAS number of ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate is 354772-94-4.
What is the molecular formula of ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate?
The molecular formula of ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate is C16H18F3N3O4S.
What is the molecular weight of ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate?
The molecular weight of ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate is 405.10 g/mol.
Where can I buy ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate?
You can request a quote for ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.