![4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile structure](/static/products/897/897473-98-2.png)
4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile
TL;DR: 4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile (CAS 897473-98-2) is a chemical compound with molecular formula C19H15N5O3S and molecular weight 393.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile
Also Known As: 4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile, F2609-1059, 4-(4-(6-nitrobenzo[d]thiazol-2-yl)piperazine-1-carbonyl)benzonitrile
| Molecular Formula | C19H15N5O3S |
|---|---|
| Molecular Weight | 393.09 g/mol |
| LogP | 3.03858 |
| Topological Polar Surface Area | 103.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.08957 |
| Heavy Atoms | 28 |
| Complexity | 1094.9497 |
Chemical Identifiers
| CAS Number | 897473-98-2 |
|---|---|
| SMILES | C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)C#N |
Product Overview
4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile (CAS 897473-98-2), with molecular formula C19H15N5O3S and molecular weight 393.09 g/mol. IUPAC: 4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile.
Chemical Property Profile of 4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile
Property Insights of 4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile
The XLogP value of 3.03858 indicates that 4-[4-(6-Nitro-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 103.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile. Following Lipinski's Rule of Five, 4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile has 0 hydrogen bond donor(s) and 7 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-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile?
The CAS number of 4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile is 897473-98-2.
What is the molecular formula of 4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile?
The molecular formula of 4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile is C19H15N5O3S.
What is the molecular weight of 4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile?
The molecular weight of 4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile is 393.09 g/mol.
Where can I buy 4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile?
You can request a quote for 4-[4-(6-Nitro-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-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(6-Nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.