![4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid structure](/static/products/890/890093-38-6.webp)
4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid
TL;DR: 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid (CAS 890093-38-6) is a chemical compound with molecular formula C23H19FN2O2S and molecular weight 406.1151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid
Also Known As: 4-[3-fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid, 4-[3-fluoro-4-[(6-propan-2-ylbenzothiazol-2-yl)amino]phenyl]benzoic Acid, 3'-Fluoro-4'-((6-isopropylbenzo[d]thiazol-2-yl)amino)-[1,1'-biphenyl]-4-carboxylic acid
Technical Specifications
| Molecular Formula | C23H19FN2O2S |
| Molecular Weight | 406.1151 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.1151 Da |
| Heavy Atoms | 29 |
| Complexity | 569.0 |
| SMILES | CC(C)C1=CC2=C(C=C1)N=C(S2)NC3=C(C=C(C=C3)C4=CC=C(C=C4)C(=O)O)F |
| InChIKey | AVEBRWJRNXUVMM-UHFFFAOYSA-N |
Chemical Property Profile of 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid
Property Insights of 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid
The XLogP value of 6.6 indicates that 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid. Following Lipinski's Rule of Five, 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid?
The CAS number of 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid is 890093-38-6.
What is the molecular formula of 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid?
The molecular formula of 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid is C23H19FN2O2S.
What is the molecular weight of 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid?
The molecular weight of 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid is 406.1151 g/mol.
Where can I buy 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid?
You can request a quote for 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-[3-Fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.