Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate
TL;DR: Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate (CAS 313507-41-4) is a chemical compound with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate, BAS 00396236, F0866-0228, ethyl 4,5-dimethyl-2-(m-nitrobenzylamino)-3-thenoate, Ethyl 4,5-dimethyl-2-[(3-nitrobenzoyl)amino]-3-thiophenecarboxylate
| Molecular Formula | C16H16N2O5S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.078 |
| Heavy Atoms | 24 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 313507-41-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | VYMGESDVYHCXPR-UHFFFAOYSA-N |
Product Overview
Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate (CAS 313507-41-4), with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate
Property Insights of Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate
The XLogP value of 4.1 indicates that Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-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 Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate?
The CAS number of Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate is 313507-41-4.
What is the molecular formula of Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate?
The molecular formula of Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate is C16H16N2O5S.
What is the molecular weight of Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate?
The molecular weight of Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate is 348.08 g/mol.
Where can I buy Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate?
You can request a quote for Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,5-dimethyl-2-(3-nitrobenzamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.