![Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate structure](/static/products/1830/1830-73-5.webp)
Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
TL;DR: Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate (CAS 1830-73-5) is a chemical compound with molecular formula C8H12F3NO3S and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
Also Known As: N-TFA-DL-METHIONINE METHYL ESTER, Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate, N-Trifluoroacetyl-L-methionine methyl ester, methyl 4-(methylsulfanyl)-2-(trifluoroacetamido)butanoate, methyl 4-methylthio-2-(2,2,2-trifluoroacetylamino)butanoate
| Molecular Formula | C8H12F3NO3S |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 0.9596 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.049 |
| Heavy Atoms | 16 |
| Complexity | 257.40332 |
Chemical Identifiers
| CAS Number | 1830-73-5 |
|---|---|
| SMILES | COC(=O)C(CCSC)NC(=O)C(F)(F)F |
Product Overview
Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate (CAS 1830-73-5), with molecular formula C8H12F3NO3S and molecular weight 259.05 g/mol. IUPAC: methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate.
Chemical Property Profile of Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
Property Insights of Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
The XLogP value of 0.9596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)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-[(2,2,2-trifluoroacetyl)amino]butanoate?
The CAS number of Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate is 1830-73-5.
What is the molecular formula of Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The molecular formula of Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate is C8H12F3NO3S.
What is the molecular weight of Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The molecular weight of Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate is 259.05 g/mol.
Where can I buy Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
You can request a quote for Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)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-[(2,2,2-trifluoroacetyl)amino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.