(3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one
TL;DR: (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one (CAS 41131-05-9) is a chemical compound with molecular formula C11H8F3NOS and molecular weight 259.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-one
Also Known As: (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one, (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-one, (E)-1,1,1-trifluoro-3-(3-methylbenzo[d]thiazol-2(3H)-ylidene)propan-2-one
| Molecular Formula | C11H8F3NOS |
|---|---|
| Molecular Weight | 259.03 g/mol |
| LogP | 3.2013 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.02786 |
| Heavy Atoms | 17 |
| Complexity | 495.73508 |
Chemical Identifiers
| CAS Number | 41131-05-9 |
|---|---|
| SMILES | CN\1C2=CC=CC=C2S/C1=C/C(=O)C(F)(F)F |
Product Overview
(3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one (CAS 41131-05-9), with molecular formula C11H8F3NOS and molecular weight 259.03 g/mol. IUPAC: (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-one.
Chemical Property Profile of (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one
Property Insights of (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one
The XLogP value of 3.2013 indicates that (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one has 0 hydrogen bond donor(s) and 3 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 (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one?
The CAS number of (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one is 41131-05-9.
What is the molecular formula of (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one?
The molecular formula of (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one is C11H8F3NOS.
What is the molecular weight of (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one?
The molecular weight of (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one is 259.03 g/mol.
Where can I buy (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one?
You can request a quote for (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-1,1,1-trifluoro-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.