![(S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate structure](/static/products/488/488802-91-1.png)
(S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate
TL;DR: (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate (CAS 488802-91-1) is a chemical compound with molecular formula C17H20F3N3O4S and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate
Also Known As: (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate, methyl 2-(acetylamino)-N-(6-butoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate, methyl 2-acetamido-2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate, 2-Acetylamino-2-(6-butoxy-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester, Methyl 2-(acetylamino)-2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate #
| Molecular Formula | C17H20F3N3O4S |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.11267 |
| Heavy Atoms | 28 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 488802-91-1 |
|---|---|
| SMILES | CCCCOC1=CC2=C(C=C1)N=C(S2)NC(C(=O)OC)(C(F)(F)F)NC(=O)C |
| InChIKey | KEQIANABCXTKQE-UHFFFAOYSA-N |
Product Overview
(S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate (CAS 488802-91-1), with molecular formula C17H20F3N3O4S and molecular weight 419.11 g/mol. IUPAC: methyl 2-acetamido-2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate
Property Insights of (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate
The XLogP value of 4.8 indicates that (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate 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 (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate 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 (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate?
The CAS number of (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate is 488802-91-1.
What is the molecular formula of (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate?
The molecular formula of (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate is C17H20F3N3O4S.
What is the molecular weight of (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate?
The molecular weight of (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate is 419.11 g/mol.
Where can I buy (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate?
You can request a quote for (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-acetamido-2-((6-butoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.