![3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid structure](/static/products/4790/479064-94-3.webp)
3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid
TL;DR: 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid (CAS 479064-94-3) is a chemical compound with molecular formula C14H18FNO4 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: 3-[(tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid, 3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)propanoic acid, 3-(boc-amino)-3-(4-fluorophenyl)propionic acid, Boc-(R)-3-Amino-3-(4-fluoro-phenyl)-propionic acid, 3-{[(tert-butoxy)carbonyl]amino}-3-(4-fluorophenyl)propanoic acid
| Molecular Formula | C14H18FNO4 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 2.8662 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.12198 |
| Heavy Atoms | 20 |
| Complexity | 478.9424 |
Chemical Identifiers
| CAS Number | 479064-94-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)F |
Product Overview
3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid (CAS 479064-94-3), with molecular formula C14H18FNO4 and molecular weight 283.12 g/mol. IUPAC: 3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid
Property Insights of 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid
The XLogP value of 2.8662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid. Following Lipinski's Rule of Five, 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic 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 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid?
The CAS number of 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid is 479064-94-3.
What is the molecular formula of 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid?
The molecular formula of 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid is C14H18FNO4.
What is the molecular weight of 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid?
The molecular weight of 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid is 283.12 g/mol.
Where can I buy 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid?
You can request a quote for 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.