Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate
TL;DR: Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate (CAS 72965-17-4) is a chemical compound with molecular formula C12H17NO3S and molecular weight 255.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxylate
Also Known As: ChemDiv3_001690, ethyl 4,5-dimethyl-2-propanamidothiophene-3-carboxylate, BAS 06104286, ethyl 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxylate, IDI1_020656
| Molecular Formula | C12H17NO3S |
|---|---|
| Molecular Weight | 255.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.09291 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 72965-17-4 |
|---|---|
| SMILES | CCC(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC |
| InChIKey | INSOSFIPBXUQRU-UHFFFAOYSA-N |
Product Overview
Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate (CAS 72965-17-4), with molecular formula C12H17NO3S and molecular weight 255.09 g/mol. IUPAC: ethyl 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate
Property Insights of Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate
The XLogP value of 3.1 indicates that Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate has 1 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 Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate?
The CAS number of Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate is 72965-17-4.
What is the molecular formula of Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate?
The molecular formula of Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate is C12H17NO3S.
What is the molecular weight of Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate?
The molecular weight of Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate is 255.09 g/mol.
Where can I buy Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate?
You can request a quote for Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate 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-((1-oxopropyl)amino)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,5-dimethyl-2-((1-oxopropyl)amino)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.