Boc-4-cyano-D-phenylalanine
TL;DR: Boc-4-cyano-D-phenylalanine (CAS 146727-62-0) is a chemical compound with molecular formula C15H18N2O4 and molecular weight 290.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-D-Phe(4-CN)-OH, Boc-D-4-Cyanophenylalanine, Boc-4-cyano-D-phenylalanine, Boc-D-4-Cyanophe, (R)-N-BOC-4-CYANOPHENYLALANINE
Technical Specifications
| Molecular Formula | C15H18N2O4 |
| Molecular Weight | 290.12665 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.12665 Da |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
| SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)C#N)C(=O)O |
| InChIKey | RMBLTLXJGNILPG-GFCCVEGCSA-N |
Chemical Property Profile of Boc-4-cyano-D-phenylalanine
Property Insights of Boc-4-cyano-D-phenylalanine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-4-cyano-D-phenylalanine. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-4-cyano-D-phenylalanine. Following Lipinski's Rule of Five, Boc-4-cyano-D-phenylalanine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Boc-4-cyano-D-phenylalanine?
The CAS number of Boc-4-cyano-D-phenylalanine is 146727-62-0.
What is the molecular formula of Boc-4-cyano-D-phenylalanine?
The molecular formula of Boc-4-cyano-D-phenylalanine is C15H18N2O4.
What is the molecular weight of Boc-4-cyano-D-phenylalanine?
The molecular weight of Boc-4-cyano-D-phenylalanine is 290.12665 g/mol.
Where can I buy Boc-4-cyano-D-phenylalanine?
You can request a quote for Boc-4-cyano-D-phenylalanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Boc-4-cyano-D-phenylalanine?
Yes, CoreyChem provides custom synthesis services for Boc-4-cyano-D-phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.