Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate
TL;DR: Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate (CAS 343589-84-4) is a chemical compound with molecular formula C18H17NO3S and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate
Also Known As: ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate, AE-848/11419102, ethyl 4,5-dimethyl-2-[(3-phenyl-2-propynoyl)amino]-3-thiophenecarboxylate, ethyl 4,5-dimethyl-2-(3-phenylpropiolamido)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[(3-phenylprop-2-ynoyl)amino]thiophene-3-carboxylate
| Molecular Formula | C18H17NO3S |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 3.53184 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.09293 |
| Heavy Atoms | 23 |
| Complexity | 781.83344 |
Chemical Identifiers
| CAS Number | 343589-84-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C#CC2=CC=CC=C2 |
Product Overview
Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate (CAS 343589-84-4), with molecular formula C18H17NO3S and molecular weight 327.09 g/mol. IUPAC: ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate
Property Insights of Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate
The XLogP value of 3.53184 indicates that Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate 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-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate?
The CAS number of Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate is 343589-84-4.
What is the molecular formula of Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate?
The molecular formula of Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate is C18H17NO3S.
What is the molecular weight of Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate?
The molecular weight of Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate is 327.09 g/mol.
Where can I buy Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate?
You can request a quote for Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)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-phenylprop-2-ynoylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.