2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one
TL;DR: 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one (CAS 83846-64-4) is a chemical compound with molecular formula C11H11N3O3S and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-imino-1,3-thiazolidin-3-yl)-1-(3-nitrophenyl)ethanone
Also Known As: EINECS 281-041-3, 2- -1- ethan-1-one, 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one, 2-(2-imino-1,3-thiazolidin-3-yl)-1-(3-nitrophenyl)ethanone, 2-(2-Imino-3-thiazolidinyl)-1-(3-nitrophenyl)ethanone
| Molecular Formula | C11H11N3O3S |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | 1.76107 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.05212 |
| Heavy Atoms | 18 |
| Complexity | 518.0098 |
Chemical Identifiers
| CAS Number | 83846-64-4 |
|---|---|
| SMILES | C1CSC(=N)N1CC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one (CAS 83846-64-4), with molecular formula C11H11N3O3S and molecular weight 265.05 g/mol. IUPAC: 2-(2-imino-1,3-thiazolidin-3-yl)-1-(3-nitrophenyl)ethanone.
Chemical Property Profile of 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one
Property Insights of 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one
The XLogP value of 1.76107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one. Following Lipinski's Rule of Five, 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one has 1 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 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one?
The CAS number of 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one is 83846-64-4.
What is the molecular formula of 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one?
The molecular formula of 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one is C11H11N3O3S.
What is the molecular weight of 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one?
The molecular weight of 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one is 265.05 g/mol.
Where can I buy 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one?
You can request a quote for 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.