![2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole structure](/static/products/4780/478077-01-9.webp)
2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole
TL;DR: 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole (CAS 478077-01-9) is a chemical compound with molecular formula C18H17ClFN3S and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole
Also Known As: Bionet1_003765, 7P-338S, 2-[4-(2-chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole, 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole, 2-{4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl}-1,3-benzothiazole
| Molecular Formula | C18H17ClFN3S |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 4.411 |
| Topological Polar Surface Area | 19.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.08157 |
| Heavy Atoms | 24 |
| Complexity | 805.09607 |
Chemical Identifiers
| CAS Number | 478077-01-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=C(C=CC=C2Cl)F)C3=NC4=CC=CC=C4S3 |
Product Overview
2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole (CAS 478077-01-9), with molecular formula C18H17ClFN3S and molecular weight 361.08 g/mol. IUPAC: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole.
Chemical Property Profile of 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole
Property Insights of 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole
The XLogP value of 4.411 indicates that 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.37 Ų, 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole 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-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole?
The CAS number of 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole is 478077-01-9.
What is the molecular formula of 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole?
The molecular formula of 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole is C18H17ClFN3S.
What is the molecular weight of 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole?
The molecular weight of 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole is 361.08 g/mol.
Where can I buy 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole?
You can request a quote for 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2-Chloro-6-fluorobenzyl)piperazino]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.