![(3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid structure](/static/products/218/218608-97-0.png)
(3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid
TL;DR: (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid (CAS 218608-97-0) 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.
(3R)-4-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: (R)-3-((tert-Butoxycarbonyl)amino)-4-(4-fluorophenyl)butanoic acid, Sitagliptin Impurity 35, Sitagliptin Impurity 55, Boc-, A-HoPhe(4-F)-OH
| 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 | 218608-97-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)F)CC(=O)O |
Product Overview
(3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid (CAS 218608-97-0), with molecular formula C15H20FNO4 and molecular weight 297.14 g/mol. IUPAC: (3R)-4-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
Chemical Property Profile of (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid
Property Insights of (3R)-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 (3R)-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 (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid. Following Lipinski's Rule of Five, (3R)-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 (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid?
The CAS number of (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid is 218608-97-0.
What is the molecular formula of (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid?
The molecular formula of (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid is C15H20FNO4.
What is the molecular weight of (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid?
The molecular weight of (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid is 297.14 g/mol.
Where can I buy (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid?
You can request a quote for (3R)-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 (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.