(3S)-3-amino-4-ethylhexanoic acid
TL;DR: (3S)-3-amino-4-ethylhexanoic acid (CAS 204191-42-4) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-amino-4-ethylhexanoic acid
Also Known As: (3S)-3-amino-4-ethylhexanoic acid, (S)-3-Amino-4-ethylhexanoic acid, 3-amino-4-ethylhexanoic acid, 3-Amino-4-ethyl-hexanoic acid, J1.561.591E
Technical Specifications
| Molecular Formula | C8H17NO2 |
| Molecular Weight | 159.12593 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 159.12593 Da |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
| SMILES | CCC(CC)[C@H](CC(=O)O)N |
| InChIKey | HOPWNSZDCHOHRY-ZETCQYMHSA-N |
Chemical Property Profile of (3S)-3-amino-4-ethylhexanoic acid
Property Insights of (3S)-3-amino-4-ethylhexanoic acid
The XLogP value of -1.4 indicates that (3S)-3-amino-4-ethylhexanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-amino-4-ethylhexanoic acid. Following Lipinski's Rule of Five, (3S)-3-amino-4-ethylhexanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3S)-3-amino-4-ethylhexanoic acid?
The CAS number of (3S)-3-amino-4-ethylhexanoic acid is 204191-42-4.
What is the molecular formula of (3S)-3-amino-4-ethylhexanoic acid?
The molecular formula of (3S)-3-amino-4-ethylhexanoic acid is C8H17NO2.
What is the molecular weight of (3S)-3-amino-4-ethylhexanoic acid?
The molecular weight of (3S)-3-amino-4-ethylhexanoic acid is 159.12593 g/mol.
Where can I buy (3S)-3-amino-4-ethylhexanoic acid?
You can request a quote for (3S)-3-amino-4-ethylhexanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-3-amino-4-ethylhexanoic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-3-amino-4-ethylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.