Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid
TL;DR: Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid (CAS 331763-70-3) is a chemical compound with molecular formula C25H22FNO4 and molecular weight 419.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-fluorophenyl)butanoic acid
Also Known As: Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-fluorophenyl)butanoic acid, Fmoc-beta-HPhe(4-F)-OH, Fmoc-?-Homophe(4-F)-OH, Boc-D-
| Molecular Formula | C25H22FNO4 |
|---|---|
| Molecular Weight | 419.15 g/mol |
| LogP | 4.7502 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.1533 |
| Heavy Atoms | 31 |
| Complexity | 1051.1859 |
Chemical Identifiers
| CAS Number | 331763-70-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)F)CC(=O)O |
Product Overview
Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid (CAS 331763-70-3), with molecular formula C25H22FNO4 and molecular weight 419.15 g/mol. IUPAC: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-fluorophenyl)butanoic acid.
Chemical Property Profile of Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid
Property Insights of Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid
The XLogP value of 4.7502 indicates that Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid. Following Lipinski's Rule of Five, Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric 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
Frequently Asked Questions
What is the CAS number of Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid?
The CAS number of Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid is 331763-70-3.
What is the molecular formula of Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid?
The molecular formula of Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid is C25H22FNO4.
What is the molecular weight of Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid?
The molecular weight of Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid is 419.15 g/mol.
Where can I buy Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid?
You can request a quote for Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for Fmoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.