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[ CAS No. 155760-02-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 155760-02-4
Chemical Structure| 155760-02-4
Structure of 155760-02-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 155760-02-4 ]

CAS No. :155760-02-4 MDL No. :MFCD01318878
Formula : C15H15NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :JCZLABDVDPYLRZ-AWEZNQCLSA-N
M.W : 241.29 Pubchem ID :2761815
Synonyms :
[1,1'-Biphenyl]-4-propanoic acid, α-amino-, (S)-;4-Biphenylyl-L-alanine;Biphenylalanine;4-Phenyl-L-phenylalanine
Chemical Name :(S)-3-([1,1'-Biphenyl]-4-yl)-2-aminopropanoic acid

Calculated chemistry of [ 155760-02-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.13
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 70.94
TPSA : 63.32 ?2

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) : -7.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.74
Log Po/w (XLOGP3) : 0.11
Log Po/w (WLOGP) : 2.31
Log Po/w (MLOGP) : 0.31
Log Po/w (SILICOS-IT) : 2.6
Consensus Log Po/w : 1.41

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.63
Solubility : 5.6 mg/ml ; 0.0232 mol/l
Class : Very soluble
Log S (Ali) : -1.0
Solubility : 24.4 mg/ml ; 0.101 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -4.39
Solubility : 0.00985 mg/ml ; 0.0000408 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.06

Safety of [ 155760-02-4 ]

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 [ 155760-02-4 ]

* 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.

  • Downstream synthetic route of [ 155760-02-4 ]

[ 155760-02-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 2418-95-3 ]
  • [ 2799-07-7 ]
  • [ 108-24-7 ]
  • [ 155760-02-4 ]
  • [ 73-22-3 ]
  • Cys-Phe-resin [ No CAS ]
  • (4R,7S,10S,13S,16S,19R)-19-Acetylamino-10-(4-amino-butyl)-16-benzyl-7-biphenyl-4-ylmethyl-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid amide [ No CAS ]
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