(1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate
TL;DR: (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate (CAS 335205-51-1) is a chemical compound with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-thiophen-2-ylethylideneamino) 4-nitrobenzoate
Also Known As: 1-(2-thienyl)ethanone O-{4-nitrobenzoyl}oxime, (1-thiophen-2-ylethylideneamino) 4-nitrobenzoate
| Molecular Formula | C13H10N2O4S |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 3.2373 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.03613 |
| Heavy Atoms | 20 |
| Complexity | 647.5205 |
Chemical Identifiers
| CAS Number | 335205-51-1 |
|---|---|
| SMILES | CC(=NOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CS2 |
Product Overview
(1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate (CAS 335205-51-1), with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol. IUPAC: (1-thiophen-2-ylethylideneamino) 4-nitrobenzoate.
Chemical Property Profile of (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate
Property Insights of (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate
The XLogP value of 3.2373 indicates that (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate. Following Lipinski's Rule of Five, (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate 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 (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate?
The CAS number of (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate is 335205-51-1.
What is the molecular formula of (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate?
The molecular formula of (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate is C13H10N2O4S.
What is the molecular weight of (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate?
The molecular weight of (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate is 290.04 g/mol.
Where can I buy (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate?
You can request a quote for (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (1-Thiophen-2-ylethylideneamino) 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.