Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate
TL;DR: Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate (CAS 544666-72-0) is a chemical compound with molecular formula C17H19NO3S and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate
Also Known As: methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate, methyl 4,5-dimethyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate, F2590-1507, methyl 4,5-dimethyl-2-[(3-phenylpropanoyl)amino]thiophene-3-carboxylate
| Molecular Formula | C17H19NO3S |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 3.72284 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.10855 |
| Heavy Atoms | 22 |
| Complexity | 676.7125 |
Chemical Identifiers
| CAS Number | 544666-72-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CCC2=CC=CC=C2)C |
Product Overview
Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate (CAS 544666-72-0), with molecular formula C17H19NO3S and molecular weight 317.11 g/mol. IUPAC: methyl 4,5-dimethyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate.
Chemical Property Profile of Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate
Property Insights of Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate
The XLogP value of 3.72284 indicates that Methyl 4,5-dimethyl-2-(3-phenylpropanamido)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, Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,5-dimethyl-2-(3-phenylpropanamido)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 Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate?
The CAS number of Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate is 544666-72-0.
What is the molecular formula of Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate?
The molecular formula of Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate is C17H19NO3S.
What is the molecular weight of Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate?
The molecular weight of Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate is 317.11 g/mol.
Where can I buy Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate?
You can request a quote for Methyl 4,5-dimethyl-2-(3-phenylpropanamido)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 Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.