Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)-
TL;DR: Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)- (CAS 151774-56-0) is a chemical compound with molecular formula C21H23NO4S and molecular weight 385.13477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-benzyl-3-propanoylsulfanylpropanoyl)amino]-5-methylbenzoic acid
Also Known As: Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)-, Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)-, (+/-)-, 3-[(2-benzyl-3-propanoylsulfanylpropanoyl)amino]-5-methylbenzoic acid, 3-[(2-benzyl-3-propanoylsulfanyl-propanoyl)amino]-5-methyl-benzoic Acid
Technical Specifications
| Molecular Formula | C21H23NO4S |
| Molecular Weight | 385.13477 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 385.13477 Da |
| Heavy Atoms | 27 |
| Complexity | 518.0 |
| SMILES | CCC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C |
| InChIKey | VXXKXVZZQWCQQG-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)-
Property Insights of Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)-
The XLogP value of 3.8 indicates that Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)-. Following Lipinski's Rule of Five, Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)-?
The CAS number of Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)- is 151774-56-0.
What is the molecular formula of Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)-?
The molecular formula of Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)- is C21H23NO4S.
What is the molecular weight of Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)-?
The molecular weight of Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)- is 385.13477 g/mol.
Where can I buy Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)-?
You can request a quote for Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3-methyl-5-((1-oxo-2-(((1-oxopropyl)thio)methyl)-3-phenylpropyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.