4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid
TL;DR: 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid (CAS 312940-47-9) is a chemical compound with molecular formula C16H17NO3S and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid
Also Known As: AE-848/12123169, 4,5-dimethyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylic Acid, 4,5-DIMETHYL-2-(3-PHENYLPROPANAMIDO)THIOPHENE-3-CARBOXYLIC ACID, 4,5-dimethyl-2-[(3-phenylpropanoyl)amino]-3-thiophenecarboxylic acid, 4,5-dimethyl-2-[(3-phenylpropanoyl)amino]thiophene-3-carboxylic acid
| Molecular Formula | C16H17NO3S |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 3.63444 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.09293 |
| Heavy Atoms | 21 |
| Complexity | 661.6617 |
Chemical Identifiers
| CAS Number | 312940-47-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)O)NC(=O)CCC2=CC=CC=C2)C |
Product Overview
4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid (CAS 312940-47-9), with molecular formula C16H17NO3S and molecular weight 303.09 g/mol. IUPAC: 4,5-dimethyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid.
Chemical Property Profile of 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid
Property Insights of 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid
The XLogP value of 3.63444 indicates that 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid has 2 hydrogen bond donor(s) and 3 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 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid?
The CAS number of 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid is 312940-47-9.
What is the molecular formula of 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid?
The molecular formula of 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid is C16H17NO3S.
What is the molecular weight of 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid?
The molecular weight of 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid is 303.09 g/mol.
Where can I buy 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid?
You can request a quote for 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-2-(3-phenylpropanamido)thiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.