[ CAS No. 105166-53-8 ] {[proInfo.proName]}

Name: 105166-53-8|[2,2'-Bipyridin]-3-amine|95%
Brand: Ambeed
SKU: A212264
Price: 66.0 USD
Availability: InStock
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3d Animation Molecule Structure of 105166-53-8

Structure of 105166-53-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 105166-53-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 105166-53-8 ]

SDS Specification

Alternatived Products of [ 105166-53-8 ]

Product Details of [ 105166-53-8 ]

CAS No. :	105166-53-8	MDL No. :	MFCD13180435
Formula :	C₁₀H₉N₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	JQTIUAVTCSZFNT-UHFFFAOYSA-N
M.W :	171.20	Pubchem ID :	9964214
Synonyms :

Calculated chemistry of [ 105166-53-8 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	51.87
TPSA :	51.8 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.78 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.37
Log Po/w (XLOGP3) :	0.8
Log Po/w (WLOGP) :	1.73
Log Po/w (MLOGP) :	0.3
Log Po/w (SILICOS-IT) :	1.77
Consensus Log Po/w :	1.19

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.02
Solubility :	1.63 mg/ml ; 0.00949 mol/l
Class :	Soluble
Log S (Ali) :	-1.47
Solubility :	5.81 mg/ml ; 0.034 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.81
Solubility :	0.0268 mg/ml ; 0.000157 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.81

Safety of [ 105166-53-8 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 105166-53-8 ]

* 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 [ 105166-53-8 ]
Downstream synthetic route of [ 105166-53-8 ]

[ 105166-53-8 ] Synthesis Path-Upstream 1~3

1
[ 75449-26-2 ]
[ 105166-53-8 ]

Reference： [1] Bulletin of the Polish Academy of Sciences, Chemistry, 1985, vol. 33, # 9-10, p. 401 - 409

2
[ 105186-66-1 ]
[ 653-05-4 ]
[ 105166-53-8 ]

Reference： [1] Bulletin of the Polish Academy of Sciences, Chemistry, 1985, vol. 33, # 9-10, p. 401 - 409

3
[ 75449-26-2 ]
[ 653-05-4 ]
[ 105166-53-8 ]

Reference： [1] Bulletin of the Polish Academy of Sciences, Chemistry, 1985, vol. 33, # 9-10, p. 401 - 409

[ 105166-53-8 ] Synthesis Path-Downstream 1~13

1
[ 105166-53-8 ]
[ 87385-12-4 ]

Reference： [1]Bulletin of the Polish Academy of Sciences: Chemistry,1985,vol. 33,p. 401 - 409

2
[ 105186-66-1 ]
[ 653-05-4 ]
[ 105166-53-8 ]

Reference： [1]Bulletin of the Polish Academy of Sciences: Chemistry,1985,vol. 33,p. 401 - 409

3
[ 75449-26-2 ]
[ 653-05-4 ]
[ 105166-53-8 ]

Reference： [1]Bulletin of the Polish Academy of Sciences: Chemistry,1985,vol. 33,p. 401 - 409

4
[ 75449-26-2 ]
[ 105166-53-8 ]

Reference： [1]Bulletin of the Polish Academy of Sciences: Chemistry,1985,vol. 33,p. 401 - 409

5
[ 105166-53-8 ]
[ 1486572-55-7 ]