4-(2,2,2-Trifluoroacetamido)butanoic acid
TL;DR: 4-(2,2,2-Trifluoroacetamido)butanoic acid (CAS 50632-83-2) is a chemical compound with molecular formula C6H8F3NO3 and molecular weight 199.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,2,2-trifluoroacetyl)amino]butanoic acid
Also Known As: 4-(2,2,2-Trifluoroacetamido)butanoic acid, 4-[(2,2,2-trifluoroacetyl)amino]butanoic acid, 4-(trifluoroacetamido)butanoic acid, 4-(Trifluoroacetylamino)butyric acid, 4-[(trifluoroacetyl)amino]butanoic acid
| Molecular Formula | C6H8F3NO3 |
|---|---|
| Molecular Weight | 199.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.04562 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 50632-83-2 |
|---|---|
| SMILES | C(CC(=O)O)CNC(=O)C(F)(F)F |
| InChIKey | KTYYDHOWWCVUQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,2,2-Trifluoroacetamido)butanoic acid (CAS 50632-83-2), with molecular formula C6H8F3NO3 and molecular weight 199.05 g/mol. IUPAC: 4-[(2,2,2-trifluoroacetyl)amino]butanoic acid.
Chemical Property Profile of 4-(2,2,2-Trifluoroacetamido)butanoic acid
Property Insights of 4-(2,2,2-Trifluoroacetamido)butanoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,2,2-Trifluoroacetamido)butanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,2,2-Trifluoroacetamido)butanoic acid. Following Lipinski's Rule of Five, 4-(2,2,2-Trifluoroacetamido)butanoic acid has 2 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 4-(2,2,2-Trifluoroacetamido)butanoic acid?
The CAS number of 4-(2,2,2-Trifluoroacetamido)butanoic acid is 50632-83-2.
What is the molecular formula of 4-(2,2,2-Trifluoroacetamido)butanoic acid?
The molecular formula of 4-(2,2,2-Trifluoroacetamido)butanoic acid is C6H8F3NO3.
What is the molecular weight of 4-(2,2,2-Trifluoroacetamido)butanoic acid?
The molecular weight of 4-(2,2,2-Trifluoroacetamido)butanoic acid is 199.05 g/mol.
Where can I buy 4-(2,2,2-Trifluoroacetamido)butanoic acid?
You can request a quote for 4-(2,2,2-Trifluoroacetamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,2,2-Trifluoroacetamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,2,2-Trifluoroacetamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.