Fmoc-2,4-dichloro-L-beta-homophenylalanine - ≥98% , CAS No.270063-49-5

CAS: 270063-49-5 Cat. No.: F338327 Molecular Weight: 470.36 PubChem CID: 2761636

GRADE & PURITY ≥98%

Synonyms

Fmoc-(S)-3-amino-4-(2,4-dichlorophenyl)butanoic acid | (betaS)-2,4-Dichloro-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid | AKOS016843701 | DTXSID801133064 | (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(2,4-dichlorophenyl)butano

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Fmoc-(S)-3-amino-4-(2, 4-dichlorophenyl)butanoic acid | (betaS)-2, 4-Dichloro-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid | AKOS016843701 | DTXSID801133064 | (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(2, 4-dichlorophenyl)butano

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504761633
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761633
• Canonical Smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=C(C=C(C=C4)Cl)Cl)CC(=O)O
• IUPAC Name: (3S)-4-(2,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
• InChIKey: UAGBOWBNDBDJMF-KRWDZBQOSA-N
• INCHI: 1S/C25H21Cl2NO4/c26-16-10-9-15(23(27)12-16)11-17(13-24(29)30)28-25(31)32-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,12,17,22H,11,13-14H2,(H,28,31)(H,29,30)/t17-/m0/s1
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=C(C=C(C=C4)Cl)Cl)CC(=O)O
• PubChem CID: 2761636
• Molecular Weight: 470.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Amphetamines and derivatives Dichlorobenzenes Aryl chlorides Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Amphetamine or derivatives - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 470.300 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 469.085 Da
• Monoisotopic Mass: 469.085 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 640.000
• 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