![2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone structure](/static/products/4881/488135-04-2.webp)
2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
TL;DR: 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (CAS 488135-04-2) is a chemical compound with molecular formula C19H18N4O3S2 and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-((6-nitrobenzo[d]thiazol-2-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
| Molecular Formula | C19H18N4O3S2 |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 3.6454 |
| Topological Polar Surface Area | 79.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.08203 |
| Heavy Atoms | 28 |
| Complexity | 1000.8412 |
Chemical Identifiers
| CAS Number | 488135-04-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (CAS 488135-04-2), with molecular formula C19H18N4O3S2 and molecular weight 414.08 g/mol. IUPAC: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Property Insights of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
The XLogP value of 3.6454 indicates that 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone 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 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone 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 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The CAS number of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is 488135-04-2.
What is the molecular formula of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular formula of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is C19H18N4O3S2.
What is the molecular weight of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular weight of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is 414.08 g/mol.
Where can I buy 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
You can request a quote for 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.