3-Benzyl-2-nitromethylene-thiazolidine
TL;DR: 3-Benzyl-2-nitromethylene-thiazolidine (CAS 94776-91-7) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-(nitromethylidene)-1,3-thiazolidine
Also Known As: 3-benzyl-2-nitromethylene-thiazolidine, 3-phenylmethyl-2-nitromethylenethiazolidine, (2E)-3-benzyl-2-(nitromethylidene)-1,3-thiazolidine
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.311 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 405.7054 |
Chemical Identifiers
| CAS Number | 94776-91-7 |
|---|---|
| SMILES | C1CSC(=C[N+](=O)[O-])N1CC2=CC=CC=C2 |
Product Overview
3-Benzyl-2-nitromethylene-thiazolidine (CAS 94776-91-7), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 3-benzyl-2-(nitromethylidene)-1,3-thiazolidine.
Chemical Property Profile of 3-Benzyl-2-nitromethylene-thiazolidine
Property Insights of 3-Benzyl-2-nitromethylene-thiazolidine
The XLogP value of 2.311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-2-nitromethylene-thiazolidine. With a topological polar surface area (TPSA) of 46.38 Ų, 3-Benzyl-2-nitromethylene-thiazolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-2-nitromethylene-thiazolidine has 0 hydrogen bond donor(s) and 4 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 3-Benzyl-2-nitromethylene-thiazolidine?
The CAS number of 3-Benzyl-2-nitromethylene-thiazolidine is 94776-91-7.
What is the molecular formula of 3-Benzyl-2-nitromethylene-thiazolidine?
The molecular formula of 3-Benzyl-2-nitromethylene-thiazolidine is C11H12N2O2S.
What is the molecular weight of 3-Benzyl-2-nitromethylene-thiazolidine?
The molecular weight of 3-Benzyl-2-nitromethylene-thiazolidine is 236.06 g/mol.
Where can I buy 3-Benzyl-2-nitromethylene-thiazolidine?
You can request a quote for 3-Benzyl-2-nitromethylene-thiazolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-2-nitromethylene-thiazolidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2-nitromethylene-thiazolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.