![7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole structure](/static/products/897/897487-89-7.png)
7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole
TL;DR: 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole (CAS 897487-89-7) is a chemical compound with molecular formula C19H17ClN4O3S and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
Also Known As: 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole, F2609-2946, (4-(7-chloro-4-methylbenzo[d]thiazol-2-yl)piperazin-1-yl)(4-nitrophenyl)methanone, [4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
| Molecular Formula | C19H17ClN4O3S |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 4.12872 |
| Topological Polar Surface Area | 79.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.07098 |
| Heavy Atoms | 28 |
| Complexity | 1019.976 |
Chemical Identifiers
| CAS Number | 897487-89-7 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole (CAS 897487-89-7), with molecular formula C19H17ClN4O3S and molecular weight 416.07 g/mol. IUPAC: [4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone.
Chemical Property Profile of 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole
Property Insights of 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole
The XLogP value of 4.12872 indicates that 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole. Following Lipinski's Rule of Five, 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole has 0 hydrogen bond donor(s) and 6 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 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole?
The CAS number of 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole is 897487-89-7.
What is the molecular formula of 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole?
The molecular formula of 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole is C19H17ClN4O3S.
What is the molecular weight of 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole?
The molecular weight of 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole is 416.07 g/mol.
Where can I buy 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole?
You can request a quote for 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-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 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-4-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.