(3S)-3-azaniumyl-4,4,4-trifluorobutanoate
TL;DR: (3S)-3-azaniumyl-4,4,4-trifluorobutanoate (CAS 584-20-3) is a chemical compound with molecular formula C4H6F3NO2 and molecular weight 157.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-azaniumyl-4,4,4-trifluorobutanoate
Also Known As: (3S)-3-azaniumyl-4,4,4-trifluorobutanoate
| Molecular Formula | C4H6F3NO2 |
|---|---|
| Molecular Weight | 157.04 g/mol |
| LogP | -1.7008 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.03506 |
| Heavy Atoms | 10 |
| Complexity | 132.95462 |
Chemical Identifiers
| CAS Number | 584-20-3 |
|---|---|
| SMILES | C([C@@H](C(F)(F)F)[NH3+])C(=O)[O-] |
Product Overview
(3S)-3-azaniumyl-4,4,4-trifluorobutanoate (CAS 584-20-3), with molecular formula C4H6F3NO2 and molecular weight 157.04 g/mol. IUPAC: (3S)-3-azaniumyl-4,4,4-trifluorobutanoate.
Chemical Property Profile of (3S)-3-azaniumyl-4,4,4-trifluorobutanoate
Property Insights of (3S)-3-azaniumyl-4,4,4-trifluorobutanoate
The XLogP value of -1.7008 indicates that (3S)-3-azaniumyl-4,4,4-trifluorobutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-azaniumyl-4,4,4-trifluorobutanoate. Following Lipinski's Rule of Five, (3S)-3-azaniumyl-4,4,4-trifluorobutanoate has 1 hydrogen bond donor(s) and 2 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 (3S)-3-azaniumyl-4,4,4-trifluorobutanoate?
The CAS number of (3S)-3-azaniumyl-4,4,4-trifluorobutanoate is 584-20-3.
What is the molecular formula of (3S)-3-azaniumyl-4,4,4-trifluorobutanoate?
The molecular formula of (3S)-3-azaniumyl-4,4,4-trifluorobutanoate is C4H6F3NO2.
What is the molecular weight of (3S)-3-azaniumyl-4,4,4-trifluorobutanoate?
The molecular weight of (3S)-3-azaniumyl-4,4,4-trifluorobutanoate is 157.04 g/mol.
Where can I buy (3S)-3-azaniumyl-4,4,4-trifluorobutanoate?
You can request a quote for (3S)-3-azaniumyl-4,4,4-trifluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-azaniumyl-4,4,4-trifluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-azaniumyl-4,4,4-trifluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.