![2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine structure](/static/products/2163/216312-53-7.webp)
2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine
TL;DR: 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine (CAS 216312-53-7) is a chemical compound with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: 3-AminobenzoicAcid, 2-Cyano-N-Boc-DL-phenylalanine, Boc-D-2-cyanophenylalanine, Boc-D-2-Cyanophe, Boc-L-2-Cyanophe
| Molecular Formula | C15H18N2O4 |
|---|---|
| Molecular Weight | 290.13 g/mol |
| LogP | 2.07868 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.12665 |
| Heavy Atoms | 21 |
| Complexity | 569.7717 |
Chemical Identifiers
| CAS Number | 216312-53-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1C#N)C(=O)O |
Product Overview
2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine (CAS 216312-53-7), with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol. IUPAC: 3-(2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine
Property Insights of 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine
The XLogP value of 2.07868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine. Following Lipinski's Rule of Five, 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine has 2 hydrogen bond donor(s) and 4 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 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine?
The CAS number of 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine is 216312-53-7.
What is the molecular formula of 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine?
The molecular formula of 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine is C15H18N2O4.
What is the molecular weight of 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine?
The molecular weight of 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine is 290.13 g/mol.
Where can I buy 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine?
You can request a quote for 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.