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Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]-
TL;DR: Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]- (CAS 516447-54-4) is a chemical compound with molecular formula C18H18FN3S and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole
Also Known As: Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]-, 2-[(4-fluorophenyl)-piperazin-1-yl-methyl]benzothiazole, 2-[(4-fluorophenyl)(piperazin-1-yl)methyl]-1,3-benzothiazole, 2-[(4-fluorophenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole
| Molecular Formula | C18H18FN3S |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | 3.43 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.12054 |
| Heavy Atoms | 23 |
| Complexity | 760.3917 |
Chemical Identifiers
| CAS Number | 516447-54-4 |
|---|---|
| SMILES | C1CN(CCN1)C(C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3 |
Product Overview
Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]- (CAS 516447-54-4), with molecular formula C18H18FN3S and molecular weight 327.12 g/mol. IUPAC: 2-[(4-fluorophenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]-
Property Insights of Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]-
The XLogP value of 3.43 indicates that Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.16 Ų, Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]- 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
Frequently Asked Questions
What is the CAS number of Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]-?
The CAS number of Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]- is 516447-54-4.
What is the molecular formula of Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]-?
The molecular formula of Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]- is C18H18FN3S.
What is the molecular weight of Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]-?
The molecular weight of Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]- is 327.12 g/mol.
Where can I buy Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]-?
You can request a quote for Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-[(4-fluorophenyl)-1-piperazinylmethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.