![4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile structure](/static/products/897/897488-15-2.png)
4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile
TL;DR: 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile (CAS 897488-15-2) is a chemical compound with molecular formula C20H17ClN4OS and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile
Also Known As: 4-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile, F2609-2970, 4-(4-(7-chloro-4-methylbenzo[d]thiazol-2-yl)piperazine-1-carbonyl)benzonitrile
| Molecular Formula | C20H17ClN4OS |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 4.0922 |
| Topological Polar Surface Area | 60.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.08115 |
| Heavy Atoms | 27 |
| Complexity | 1007.2692 |
Chemical Identifiers
| CAS Number | 897488-15-2 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N |
Product Overview
4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile (CAS 897488-15-2), with molecular formula C20H17ClN4OS and molecular weight 396.08 g/mol. IUPAC: 4-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile.
Chemical Property Profile of 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile
Property Insights of 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile
The XLogP value of 4.0922 indicates that 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile. Following Lipinski's Rule of Five, 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile has 0 hydrogen bond donor(s) and 5 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 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile?
The CAS number of 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile is 897488-15-2.
What is the molecular formula of 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile?
The molecular formula of 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile is C20H17ClN4OS.
What is the molecular weight of 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile?
The molecular weight of 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile is 396.08 g/mol.
Where can I buy 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile?
You can request a quote for 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.