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Boc-Phe (4-Br) -OH

CAT: 0804-HY-W011178-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W011178-01Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Boc-Phe (4-Br) -OH is a phenylalanine derivative[1].
CAS Number
62129-39-9
UNSPSC
12352209
Hazard Statement
H302, H315, H319, H335
Target
Amino Acid Derivatives
Type
Peptides
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/boc-phe-4-br-oh.html
Purity
99.81
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C([C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(C=C1)Br)O
Molecular Formula
C14H18BrNO4
Molecular Weight
344.20
Precautions
H302, H315, H319, H335
References & Citations
[1]Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55 (13) :1793-904.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

(2S)-3-(4-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
CAS Number62129-39-9
PubChem CID2734477
IUPAC Name(2S)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular FormulaC14H18BrNO4
Molecular Weight344.20
XLogP2.5
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity346
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O
InChI
InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey
ULNOXUAEIPUJMK-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (2S)-3-(4-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
CAS: 62129-39-9
CID: 2734477
Formula: C14H18BrNO4
MW: 344.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.20
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass343.04192
Monoisotopic Mass343.04192
Topological Polar Surface Area75.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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5-03946Boc-Phe(4-Br)-OH
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sc-234150Boc-D-Phe (4-Br) -OH
5-03922Boc-Phe(3-Br)-OH
5-03909Boc-Phe(2-Br)-OH
5-03917Boc-D-Phe(2-Br)-OH
MBS3847628-01Fmoc-Phe(4-Br)-OH
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