![(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid structure](/static/products/2186/218609-00-8.webp)
(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid
TL;DR: (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid (CAS 218609-00-8) is a chemical compound with molecular formula C15H20FNO4 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: (S)-3-((tert-Butoxycarbonyl)amino)-4-(4-fluorophenyl)butanoic acid, Boc-beta-HPhe(4-F)-OH, Boc-?-Homophe(4-F)-OH, Boc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid, Boc-4-fluoro-L-beta-homophenylalanine
| Molecular Formula | C15H20FNO4 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 2.7362 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.13763 |
| Heavy Atoms | 21 |
| Complexity | 493.39023 |
Chemical Identifiers
| CAS Number | 218609-00-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)F)CC(=O)O |
Product Overview
(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid (CAS 218609-00-8), with molecular formula C15H20FNO4 and molecular weight 297.14 g/mol. IUPAC: (3S)-4-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
Chemical Property Profile of (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid
Property Insights of (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid
The XLogP value of 2.7362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid. Following Lipinski's Rule of Five, (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic 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 (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid?
The CAS number of (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid is 218609-00-8.
What is the molecular formula of (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid?
The molecular formula of (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid is C15H20FNO4.
What is the molecular weight of (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid?
The molecular weight of (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid is 297.14 g/mol.
Where can I buy (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid?
You can request a quote for (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.