![[2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate structure](/static/products/853/853355-56-3.png)
[2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate
TL;DR: [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate (CAS 853355-56-3) is a chemical compound with molecular formula C16H16N2O8S and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate
Also Known As: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate|(3,4,5-trimethoxyphenyl)carbamoylmethyl 5-nitrothiophene-2-carboxylate|2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl 5-nitrothiophene-2-carboxylate|[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 5-nitrothiophene-2-carboxylate|5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester|5-nitrothiophene-2-carboxylic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester|MLS002248684|SMR001316144|cid_2612178
| Molecular Formula | C16H16N2O8S |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 2.4776 |
| Topological Polar Surface Area | 126.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.06274 |
| Heavy Atoms | 27 |
| Complexity | 838.85034 |
Chemical Identifiers
| CAS Number | 853355-56-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-] |
Product Overview
[2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate (CAS 853355-56-3), with molecular formula C16H16N2O8S and molecular weight 396.06 g/mol. IUPAC: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate.
Chemical Property Profile of [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate
Property Insights of [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate
The XLogP value of 2.4776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate. The TPSA of 126.23 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate. Following Lipinski's Rule of Five, [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate has 1 hydrogen bond donor(s) and 9 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-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate?
The CAS number of [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate is 853355-56-3.
What is the molecular formula of [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate?
The molecular formula of [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate is C16H16N2O8S.
What is the molecular weight of [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate?
The molecular weight of [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate is 396.06 g/mol.
Where can I buy [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate?
You can request a quote for [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-Oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.