N-benzyl-6-fluoro-1,3-benzothiazol-2-amine
TL;DR: N-benzyl-6-fluoro-1,3-benzothiazol-2-amine (CAS 131169-64-7) is a chemical compound with molecular formula C14H11FN2S and molecular weight 258.06268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-6-fluoro-1,3-benzothiazol-2-amine
Also Known As: N-benzyl-6-fluoro-1,3-benzothiazol-2-amine, 5,8-Diethyl-6-dodecanol, N-Benzyl-6-fluorobenzothiazole-2-amine, J2.018.735B, L-2941
Technical Specifications
| Molecular Formula | C14H11FN2S |
| Molecular Weight | 258.06268 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.06268 Da |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
| SMILES | C1=CC=C(C=C1)CNC2=NC3=C(S2)C=C(C=C3)F |
| InChIKey | AASSTUSOWJMKQD-UHFFFAOYSA-N |
Chemical Property Profile of N-benzyl-6-fluoro-1,3-benzothiazol-2-amine
Property Insights of N-benzyl-6-fluoro-1,3-benzothiazol-2-amine
The XLogP value of 4.3 indicates that N-benzyl-6-fluoro-1,3-benzothiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.2 Ų, N-benzyl-6-fluoro-1,3-benzothiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-6-fluoro-1,3-benzothiazol-2-amine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-benzyl-6-fluoro-1,3-benzothiazol-2-amine?
The CAS number of N-benzyl-6-fluoro-1,3-benzothiazol-2-amine is 131169-64-7.
What is the molecular formula of N-benzyl-6-fluoro-1,3-benzothiazol-2-amine?
The molecular formula of N-benzyl-6-fluoro-1,3-benzothiazol-2-amine is C14H11FN2S.
What is the molecular weight of N-benzyl-6-fluoro-1,3-benzothiazol-2-amine?
The molecular weight of N-benzyl-6-fluoro-1,3-benzothiazol-2-amine is 258.06268 g/mol.
Where can I buy N-benzyl-6-fluoro-1,3-benzothiazol-2-amine?
You can request a quote for N-benzyl-6-fluoro-1,3-benzothiazol-2-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-benzyl-6-fluoro-1,3-benzothiazol-2-amine?
Yes, CoreyChem provides custom synthesis services for N-benzyl-6-fluoro-1,3-benzothiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.