N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate
TL;DR: N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate (CAS 147529-79-1) is a chemical compound with molecular formula C15H19F3N2O4S and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl] ethanethioate;2,2,2-trifluoroacetic acid
Also Known As: N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate, N- -S-acetylcysteaminetrifluoroacetate, Ethanethioic acid, S-(2-((2-amino-1-oxo-3-phenylpropyl)amino)ethyl) ester, (S)-, mono(trifluoroacetate), S-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl] ethanethioate;2,2,2-trifluoroacetic acid, (2S)-N-(2-acetylsulfanylethyl)-2-amino-3-phenyl-propanamide; 2,2,2-trifluoroacetic acid
| Molecular Formula | C15H19F3N2O4S |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 1.5856 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.10178 |
| Heavy Atoms | 25 |
| Complexity | 567.64496 |
Chemical Identifiers
| CAS Number | 147529-79-1 |
|---|---|
| SMILES | CC(=O)SCCNC(=O)[C@H](CC1=CC=CC=C1)N.C(=O)(C(F)(F)F)O |
Product Overview
N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate (CAS 147529-79-1), with molecular formula C15H19F3N2O4S and molecular weight 380.10 g/mol. IUPAC: S-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl] ethanethioate;2,2,2-trifluoroacetic acid.
Chemical Property Profile of N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate
Property Insights of N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate
The XLogP value of 1.5856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate. The TPSA of 109.49 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate. Following Lipinski's Rule of Five, N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate has 3 hydrogen bond donor(s) and 5 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 N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate?
The CAS number of N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate is 147529-79-1.
What is the molecular formula of N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate?
The molecular formula of N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate is C15H19F3N2O4S.
What is the molecular weight of N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate?
The molecular weight of N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate is 380.10 g/mol.
Where can I buy N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate?
You can request a quote for N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.