![(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid structure](/static/products/136/1366564-51-3.webp)
(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid
TL;DR: (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid (CAS 1366564-51-3) is a chemical compound with molecular formula C14H17F2NO4 and molecular weight 301.11258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-(2,6-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid, (3S)-3-(2,6-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid
Technical Specifications
| Molecular Formula | C14H17F2NO4 |
| Molecular Weight | 301.11258 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.11258 Da |
| Heavy Atoms | 21 |
| Complexity | 374.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=C(C=CC=C1F)F |
| InChIKey | AFUJKHSGLCDYPL-JTQLQIEISA-N |
Chemical Property Profile of (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid
Property Insights of (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid. Following Lipinski's Rule of Five, (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic 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
What is the CAS number of (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid?
The CAS number of (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid is 1366564-51-3.
What is the molecular formula of (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid?
The molecular formula of (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid is C14H17F2NO4.
What is the molecular weight of (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid?
The molecular weight of (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid is 301.11258 g/mol.
Where can I buy (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid?
You can request a quote for (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,6-difluorophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.