[ CAS No. 1202355-37-0 ]

Name: 1202355-37-0|4'-Ethynyl-[1,1'-biphenyl]-4-ol|95+%
Brand: Ambeed
SKU: A546069
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Quality Control of [ 1202355-37-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1202355-37-0 ]

SDS

Alternatived Products of [ 1202355-37-0 ]

Product Details of [ 1202355-37-0 ]

CAS No. :	1202355-37-0	MDL No. :	MFCD24730410
Formula :	C₁₄H₁₀O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	194.23 g/mol	Pubchem ID :	23343152
Synonyms :

Calculated chemistry of of [ 1202355-37-0 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	61.84
TPSA :	20.23 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.04 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.31
Log Po/w (XLOGP3) :	3.45
Log Po/w (WLOGP) :	3.12
Log Po/w (MLOGP) :	3.53
Log Po/w (SILICOS-IT) :	3.72
Consensus Log Po/w :	3.23

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.74
Solubility :	0.035 mg/ml ; 0.00018 mol/l
Class :	Soluble
Log S (Ali) :	-3.56
Solubility :	0.054 mg/ml ; 0.000278 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.42
Solubility :	0.0073 mg/ml ; 0.0000376 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.91

Safety of [ 1202355-37-0 ]

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

Application In Synthesis of [ 1202355-37-0 ]

* 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 [ 1202355-37-0 ]

[ 1202355-37-0 ] Synthesis Path-Downstream 1~9

1
[ 1202355-37-0 ]
[ 1042277-75-7 ]
[ 1383935-87-2 ]

Reference： [1]Journal of Materials Chemistry,2012,vol. 22,p. 12718 - 12722

2
[ 29558-78-9 ]
[ 1066-54-2 ]
[ 1202355-37-0 ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 8313 - 8323

3
[ 1202355-37-0 ]
[ 144970-30-9 ]
C₉₀H₆₄O₄ [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 8313 - 8323

4
[ 636-28-2 ]
[ 1202355-37-0 ]
C₆₂H₃₈O₄ [ No CAS ]