[ CAS No. 1283075-60-4 ] {[proInfo.proName]}

Name: 1283075-60-4|6,8-Dichloropyrido[2,3-b]pyrazine|97%
Brand: Ambeed
SKU: A272294
Rating: 90 (22 reviews)

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3d Animation Molecule Structure of 1283075-60-4

Structure of 1283075-60-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 1283075-60-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1283075-60-4 ]

SDS Specification

Alternatived Products of [ 1283075-60-4 ]

Product Details of [ 1283075-60-4 ]

CAS No. :	1283075-60-4	MDL No. :	MFCD26402019
Formula :	C₇H₃Cl₂N₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BIULHHKFNLFURG-UHFFFAOYSA-N
M.W :	200.02	Pubchem ID :	77231154
Synonyms :

Calculated chemistry of [ 1283075-60-4 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	47.35
TPSA :	38.67 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 :	No
Log Kp (skin permeation) :	-6.06 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.57
Log Po/w (XLOGP3) :	2.06
Log Po/w (WLOGP) :	2.33
Log Po/w (MLOGP) :	1.25
Log Po/w (SILICOS-IT) :	2.73
Consensus Log Po/w :	1.99

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.99
Solubility :	0.203 mg/ml ; 0.00101 mol/l
Class :	Soluble
Log S (Ali) :	-2.5
Solubility :	0.631 mg/ml ; 0.00316 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.19
Solubility :	0.0128 mg/ml ; 0.0000641 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.85

Safety of [ 1283075-60-4 ]

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 [ 1283075-60-4 ]

* 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 [ 1283075-60-4 ]

[ 1283075-60-4 ] Synthesis Path-Downstream 1~15

1
[ 131543-46-9 ]
[ 24484-99-9 ]
[ 1283075-60-4 ]

Yield	Reaction Conditions	Operation in experiment
	In tetrahydrofuran; water; at 20℃; for 72h;	A solution of of 4.81 g (27 mmol) <strong>[24484-99-9]4,6-dichloro-pyridine-2,3-diamine</strong> (synthesis described in J. E. Schelling, C. A. Salemink, Rec. Trav. Chim. Pays-Bas 91 , 650 [1972]) in 50 ml THF was treated with 5.22 g (27 mmol) of a 30percent solution of glyoxal in water and the mixture was stirred for 3 days at room temperature. The reaction mixture was evaporated and the residue was partitioned between dichloromethane and diluted sodium carbonate solution. The organic phase was dried over sodium sulfate and evaporated. The residue was chromatographed on a silica gel column with cyclohexane/ethyl acetate as eluent yielding 6,8-dichloro- pyrido[2,3-b]pyrazine as off-white fine needles; HPLC/MS (B): 1.93 min, [M+H] 200. 1H NMR (400 MHz, CDCI3) delta = 9.16 (d, J=1.7, 1 H), 9.05 (d, J=1.7, 1H), 7.89 (s, 1 H).

Reference： [1]Patent: WO2012/119690,2012,A1 .Location in patent: Page/Page column 54

2
[ 1283075-60-4 ]
[ 1993-03-9 ]
[ 1398057-29-8 ]