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Chemistry
Organic Building Blocks
Aryls
benzyl
Boc-Phe(3,5-Me)-OH
Chemistry
Life Science
Organic Building Blocks
Amino Acids Asymmetric Synthesis
Aryls
Amines Amides Carboxylic Acids Benzene Compounds Amino Acid Derivatives Carbamates Chiral Building Blocks
benzyl
Phe(phenylalanine) (tert-butoxycarbonyl)-D-phenylalanine

[ CAS No. 849440-33-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 849440-33-1
Chemical Structure| 849440-33-1
Structure of 849440-33-1 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 849440-33-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 849440-33-1 ]

SDS Specification
Alternatived Products of [ 849440-33-1 ]

Product Details of [ 849440-33-1 ]

CAS No. :849440-33-1 MDL No. :MFCD09841968
Formula : C16H23NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :YTXNDRYCIWRWPG-ZDUSSCGKSA-N
M.W : 293.36 Pubchem ID :12148557
Synonyms :

Calculated chemistry of [ 849440-33-1 ]

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.5
Num. rotatable bonds : 7
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 81.27
TPSA : 75.63 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.79 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.33
Log Po/w (XLOGP3) : 3.24
Log Po/w (WLOGP) : 2.82
Log Po/w (MLOGP) : 2.47
Log Po/w (SILICOS-IT) : 2.7
Consensus Log Po/w : 2.71

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -3.45
Solubility : 0.104 mg/ml ; 0.000355 mol/l
Class : Soluble
Log S (Ali) : -4.5
Solubility : 0.00924 mg/ml ; 0.0000315 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.94
Solubility : 0.0335 mg/ml ; 0.000114 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.91

Safety of [ 849440-33-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 849440-33-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 849440-33-1 ]
  • Downstream synthetic route of [ 849440-33-1 ]

[ 849440-33-1 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 24424-99-5 ]
  • [ 849440-33-1 ]
Reference： [1] Journal of Medicinal Chemistry, 2007, vol. 50, # 12, p. 2753 - 2766
  • 2
  • [ 27129-86-8 ]
  • [ 24424-99-5 ]
  • [ 849440-33-1 ]
  • [ 96293-17-3 ]
Reference： [1] Heterocycles, 2004, vol. 64, p. 505 - 514

Tags: 849440-33-1 synthesis path| 849440-33-1 SDS| 849440-33-1 COA| 849440-33-1 purity| 849440-33-1 application| 849440-33-1 NMR| 849440-33-1 COA| 849440-33-1 structure

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Chemistry
Organic Building Blocks
Benzene Compounds
benzyl
Life Science
Amino Acids
Amino Acid Derivatives
Phe(phenylalanine)
Life Science
Amino Acids
Amino Acid Derivatives
(tert-butoxycarbonyl)-D-phenylalanine
Chemistry
Organic Building Blocks
Aryls
Chemistry
Organic Building Blocks
Amines
Chemistry
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Amides
Chemistry
Organic Building Blocks
Carboxylic Acids
Chemistry
Organic Building Blocks
Carbamates
Chemistry
Asymmetric Synthesis
Chiral Building Blocks
Historical Records

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