![Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate structure](/static/products/4007/400-73-7.webp)
Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate
TL;DR: Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate (CAS 400-73-7) is a chemical compound with molecular formula C14H16F3NO3S and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate
Also Known As: Maybridge1_004483, 4-Chloro-3-(trifluoromethyl)anisole, (S)-Methyl 4-(methylthio)-2-(4-(trifluoromethyl)benzamido)butanoate, BRD-A19123334-001-01-1, N-[4-(Trifluoromethyl)benzoyl]-l-methionine methyl ester
| Molecular Formula | C14H16F3NO3S |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 2.7299 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.0803 |
| Heavy Atoms | 22 |
| Complexity | 517.0595 |
Chemical Identifiers
| CAS Number | 400-73-7 |
|---|---|
| SMILES | COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)C(F)(F)F |
Product Overview
Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate (CAS 400-73-7), with molecular formula C14H16F3NO3S and molecular weight 335.08 g/mol. IUPAC: methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate.
Chemical Property Profile of Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate
Property Insights of Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate
The XLogP value of 2.7299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate 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-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate?
The CAS number of Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate is 400-73-7.
What is the molecular formula of Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate?
The molecular formula of Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate is C14H16F3NO3S.
What is the molecular weight of Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate?
The molecular weight of Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate is 335.08 g/mol.
Where can I buy Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate?
You can request a quote for Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.