![1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone structure](/static/products/6060/606091-62-7.webp)
1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
TL;DR: 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone (CAS 606091-62-7) is a chemical compound with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
Also Known As: Piperidine,4- -1-[ acetyl]-, 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone, PIPERIDINE, 4-(2-BENZOTHIAZOLYL)-1-[(4-NITROPHENYL)ACETYL]-, Piperidine, 4-(2-benzothiazolyl)-1-[(4-nitrophenyl)acetyl]- (9CI)
| Molecular Formula | C20H19N3O3S |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 4.1532 |
| Topological Polar Surface Area | 76.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.11472 |
| Heavy Atoms | 27 |
| Complexity | 942.5604 |
Chemical Identifiers
| CAS Number | 606091-62-7 |
|---|---|
| SMILES | C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone (CAS 606091-62-7), with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol. IUPAC: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone.
Chemical Property Profile of 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
Property Insights of 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
The XLogP value of 4.1532 indicates that 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone 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 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone?
The CAS number of 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone is 606091-62-7.
What is the molecular formula of 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone?
The molecular formula of 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone is C20H19N3O3S.
What is the molecular weight of 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone?
The molecular weight of 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone is 381.11 g/mol.
Where can I buy 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone?
You can request a quote for 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.