![2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone structure](/static/products/4535/453533-02-3.webp)
2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
TL;DR: 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone (CAS 453533-02-3) is a chemical compound with molecular formula C13H13N3O3S2 and molecular weight 323.04 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-pyrrolidin-1-ylethanone
Also Known As: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone, 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone, 2-((6-nitrobenzo[d]thiazol-2-yl)thio)-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C13H13N3O3S2 |
|---|---|
| Molecular Weight | 323.04 g/mol |
| LogP | 2.919 |
| Topological Polar Surface Area | 76.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.03983 |
| Heavy Atoms | 21 |
| Complexity | 695.02637 |
Chemical Identifiers
| CAS Number | 453533-02-3 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone (CAS 453533-02-3), with molecular formula C13H13N3O3S2 and molecular weight 323.04 g/mol. IUPAC: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
Property Insights of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
The XLogP value of 2.919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone. The TPSA of 76.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone 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 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone?
The CAS number of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone is 453533-02-3.
What is the molecular formula of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone?
The molecular formula of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone is C13H13N3O3S2.
What is the molecular weight of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone?
The molecular weight of 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone is 323.04 g/mol.
Where can I buy 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone?
You can request a quote for 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-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-(pyrrolidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.