![methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate structure](/static/products/4881/488132-85-0.webp)
methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate
TL;DR: methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate (CAS 488132-85-0) 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.
methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate
Also Known As: methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate, methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propionylamino)propanoate, methyl N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(propanoylamino)alaninate, (S)-methyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate
| Molecular Formula | C16H18F3N3O4S |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.09702 |
| Heavy Atoms | 27 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 488132-85-0 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)OCC |
| InChIKey | IAPUWMMVMPOVSB-UHFFFAOYSA-N |
Product Overview
methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate (CAS 488132-85-0), with molecular formula C16H18F3N3O4S and molecular weight 405.10 g/mol. IUPAC: methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate.
Chemical Property Profile of methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate
Property Insights of methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate
The XLogP value of 4.4 indicates that methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate. Following Lipinski's Rule of Five, methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate has 2 hydrogen bond donor(s) and 10 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 methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate?
The CAS number of methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate is 488132-85-0.
What is the molecular formula of methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate?
The molecular formula of methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate is C16H18F3N3O4S.
What is the molecular weight of methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate?
The molecular weight of methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate is 405.10 g/mol.
Where can I buy methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate?
You can request a quote for methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.