| SKU | Size | Availability | Price | Qty |
|---|---|---|---|---|
| B133167-250mg | 250mg | 3 | $43.90 | |
| B133167-1g | 1g | 2 | $134.90 | |
| B133167-5g | 5g | 2 | $607.90 |
| Synonyms | Boc-Phe(3,4-F)-OH | MFCD00672518 | (2S)-2-(tert-butoxycarbonylamino)-3-(3,4-difluorophenyl)propanoic acid;Boc-3,4-Difluoro-L-phenylalanine | Dichloro(3-chloropropyl)methylsilane, 98% | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,4-difluoro- | 3,3- |
|---|---|
| Specifications & Purity | ≥95% |
| Shipped In | Normal |
| Pubchem Sid | 504764644 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764644 |
| IUPAC Name | (2S)-3-(3,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| INCHI | InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)7-8-4-5-9(15)10(16)6-8/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1 |
| InChi Key | CYAOPVHXASZUDE-NSHDSACASA-N |
| Canonical SMILES | CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)F)F)C(=O)O |
| Isomeric SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)F)F)C(=O)O |
| WGK Germany | 3 |
| PubChem CID | 7020829 |
| Molecular Weight | 301.29 |
| Beilstein | 8566144 |
| Reaxy-Rn | 8566144 |
| Solubility | Slightly soluble in Methanol |
|---|---|
| Specific Rotation[α] | 5° (C=1,MeOH) |
| Melt Point(°C) | 83°C |
| Molecular Weight | 301.290 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 301.113 Da |
| Monoisotopic Mass | 301.113 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 384.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| WGK Germany | 3 |
|---|---|
| Reaxy-Rn | 8566144 |
J2115436