![Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate structure](/static/products/847/847467-58-7.png)
Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate
TL;DR: Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate (CAS 847467-58-7) is a chemical compound with molecular formula C20H24N2O3S and molecular weight 372.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholin-4-ylbenzoate
Also Known As: methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate, AN-465/43336704, methyl 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholin-4-ylbenzoate, methyl 5-((4-(methylthio)benzyl)amino)-2-morpholinobenzoate, methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(morpholin-4-yl)benzoate
| Molecular Formula | C20H24N2O3S |
|---|---|
| Molecular Weight | 372.15 g/mol |
| LogP | 3.6438 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.15076 |
| Heavy Atoms | 26 |
| Complexity | 743.22156 |
Chemical Identifiers
| CAS Number | 847467-58-7 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)NCC2=CC=C(C=C2)SC)N3CCOCC3 |
Product Overview
Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate (CAS 847467-58-7), with molecular formula C20H24N2O3S and molecular weight 372.15 g/mol. IUPAC: methyl 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholin-4-ylbenzoate.
Chemical Property Profile of Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate
Property Insights of Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate
The XLogP value of 3.6438 indicates that Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate has 1 hydrogen bond donor(s) and 6 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 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate?
The CAS number of Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate is 847467-58-7.
What is the molecular formula of Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate?
The molecular formula of Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate is C20H24N2O3S.
What is the molecular weight of Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate?
The molecular weight of Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate is 372.15 g/mol.
Where can I buy Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate?
You can request a quote for Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-{[4-(methylsulfanyl)benzyl]amino}-2-(4-morpholinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.