2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide
TL;DR: 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide (CAS 540515-63-7) is a chemical compound with molecular formula C14H13F3N2OS2 and molecular weight 346.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrrolidin-1-yl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]ethanone
Also Known As: 2-oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide, AO-080/42479866, 1-pyrrolidin-1-yl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]ethanone, 1-pyrrolidinyl-2-[5-(trifluoromethyl)benzothiazol-2-ylthio]ethan-1-one, 1-(pyrrolidin-1-yl)-2-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl}ethanone
| Molecular Formula | C14H13F3N2OS2 |
|---|---|
| Molecular Weight | 346.04 g/mol |
| LogP | 4.0296 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.04214 |
| Heavy Atoms | 22 |
| Complexity | 692.94305 |
Chemical Identifiers
| CAS Number | 540515-63-7 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)C(F)(F)F |
Product Overview
2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide (CAS 540515-63-7), with molecular formula C14H13F3N2OS2 and molecular weight 346.04 g/mol. IUPAC: 1-pyrrolidin-1-yl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide
Property Insights of 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide
The XLogP value of 4.0296 indicates that 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide has 0 hydrogen bond donor(s) and 4 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-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide?
The CAS number of 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide is 540515-63-7.
What is the molecular formula of 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide?
The molecular formula of 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide is C14H13F3N2OS2.
What is the molecular weight of 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide?
The molecular weight of 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide is 346.04 g/mol.
Where can I buy 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide?
You can request a quote for 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(1-pyrrolidinyl)ethyl 5-(trifluoromethyl)-1,3-benzothiazol-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.