N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐
TL;DR: N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐 (CAS 96538-33-9) is a chemical compound with molecular formula C10H16F3N3O5S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐
S-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]ethyl] ethanethioate;2,2,2-trifluoroacetic acid
Also Known As: N-Glycylglycyl-S-acetylcysteamine trifluoroacetate, N-Glycylglycyl-S acetylcysteamine trifluoroacetate, Glycyl-N-(2-(acetylthio)ethyl)glycinamide mono(trifluoroacetate), N-glycylglycyl-S-acetylcysteaminetrifluoroacetate, Glycinamide, glycyl-N-(2-(acetylthio)ethyl)-, mono(trifluoroacetate)
| Molecular Formula | C10H16F3N3O5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | -0.9095 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.07626 |
| Heavy Atoms | 22 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 96538-33-9 |
|---|---|
| SMILES | CC(=O)SCCNC(=O)CNC(=O)CN.C(=O)(C(F)(F)F)O |
| InChIKey | JZVKQMHIBQODIX-UHFFFAOYSA-N |
Product Overview
N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐 (CAS 96538-33-9), with molecular formula C10H16F3N3O5S and molecular weight 347.08 g/mol. IUPAC: S-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]ethyl] ethanethioate;2,2,2-trifluoroacetic acid.
Chemical Property Profile of N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐
Property Insights of N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐
The XLogP value of -0.9095 indicates that N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.0 Ų indicates high polarity, suggesting N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐 has 4 hydrogen bond donor(s) and 10 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-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐?
The CAS number of N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐 is 96538-33-9.
What is the molecular formula of N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐?
The molecular formula of N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐 is C10H16F3N3O5S.
What is the molecular weight of N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐?
The molecular weight of N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐 is 347.08 g/mol.
Where can I buy N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐?
You can request a quote for N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐?
Yes, KEHONG BIO provides custom synthesis services for N-甘氨酰甘氨酰-S-乙酰半胱胺三氟乙酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.