2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
TL;DR: 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester (CAS 488801-88-3) is a chemical compound with molecular formula C13H11BrF3N3O3S and molecular weight 424.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate
Also Known As: 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester, (S)-methyl 2-acetamido-2-((6-bromobenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate, Methyl 2-(acetylamino)-2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate, methyl 2-(acetylamino)-N-(6-bromo-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate, methyl 2-acetamido-2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate
| Molecular Formula | C13H11BrF3N3O3S |
|---|---|
| Molecular Weight | 424.97 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.96567 |
| Heavy Atoms | 24 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 488801-88-3 |
|---|---|
| SMILES | CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)Br |
| InChIKey | PKHMOWAMNDDRME-UHFFFAOYSA-N |
Product Overview
2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester (CAS 488801-88-3), with molecular formula C13H11BrF3N3O3S and molecular weight 424.97 g/mol. IUPAC: methyl 2-acetamido-2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
Property Insights of 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
The XLogP value of 4.2 indicates that 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester. Following Lipinski's Rule of Five, 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester has 2 hydrogen bond donor(s) and 9 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 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester?
The CAS number of 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester is 488801-88-3.
What is the molecular formula of 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester?
The molecular formula of 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester is C13H11BrF3N3O3S.
What is the molecular weight of 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester?
The molecular weight of 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester is 424.97 g/mol.
Where can I buy 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester?
You can request a quote for 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.