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[2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate
TL;DR: [2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate (CAS 473896-67-2) is a chemical compound with molecular formula C13H10N2O5S and molecular weight 306.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-nitroanilino)-2-oxoethyl] thiophene-2-carboxylate
Also Known As: [2-(2-nitroanilino)-2-oxoethyl] thiophene-2-carboxylate|2-(2-Nitroanilino)-2-oxoethyl thiophene-2-carboxylate|MLS001003679|SMR000347581
| Molecular Formula | C13H10N2O5S |
|---|---|
| Molecular Weight | 306.03 g/mol |
| LogP | 2.4518 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.03104 |
| Heavy Atoms | 21 |
| Complexity | 668.96094 |
Chemical Identifiers
| CAS Number | 473896-67-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=CS2)[N+](=O)[O-] |
Product Overview
[2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate (CAS 473896-67-2), with molecular formula C13H10N2O5S and molecular weight 306.03 g/mol. IUPAC: [2-(2-nitroanilino)-2-oxoethyl] thiophene-2-carboxylate.
Chemical Property Profile of [2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate
Property Insights of [2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate
The XLogP value of 2.4518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate. Following Lipinski's Rule of Five, [2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate has 1 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-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate?
The CAS number of [2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate is 473896-67-2.
What is the molecular formula of [2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate?
The molecular formula of [2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate is C13H10N2O5S.
What is the molecular weight of [2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate?
The molecular weight of [2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate is 306.03 g/mol.
Where can I buy [2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate?
You can request a quote for [2-(2-Nitroanilino)-2-oxoethyl] thiophene-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-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.