(2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid
TL;DR: (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid (CAS 959583-77-8) is a chemical compound with molecular formula C14H18FNO5 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-3-(4-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid, 6695AC, N-Boc-(2S,3S)-3-Amino-3-(4-fluoro-phenyl)-2-hydroxy-propionic acid, A-7948, (2S,3S)-3-(4-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
| Molecular Formula | C14H18FNO5 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 1.837 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.1169 |
| Heavy Atoms | 21 |
| Complexity | 509.09082 |
Chemical Identifiers
| CAS Number | 959583-77-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](C1=CC=C(C=C1)F)[C@@H](C(=O)O)O |
Product Overview
(2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid (CAS 959583-77-8), with molecular formula C14H18FNO5 and molecular weight 299.12 g/mol. IUPAC: (2S,3S)-3-(4-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid
Property Insights of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid
The XLogP value of 1.837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid. Following Lipinski's Rule of Five, (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid has 3 hydrogen bond donor(s) and 4 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 (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid?
The CAS number of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid is 959583-77-8.
What is the molecular formula of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid?
The molecular formula of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid is C14H18FNO5.
What is the molecular weight of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid?
The molecular weight of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid is 299.12 g/mol.
Where can I buy (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid?
You can request a quote for (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.