[ CAS No. 24683-00-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}

2D 3D

Structure of 24683-00-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 24683-00-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 24683-00-9 ]

SDS Specification

Alternatived Products of [ 24683-00-9 ]

Product Details of [ 24683-00-9 ]

CAS No. :	24683-00-9	MDL No. :	MFCD00006128
Formula :	C₉H₁₄N₂O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UXFSPRAGHGMRSQ-UHFFFAOYSA-N
M.W :	166.22	Pubchem ID :	32594
Synonyms :

Calculated chemistry of [ 24683-00-9 ] Expand+

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.56
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	47.91
TPSA :	35.01 ?2

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) :	-5.48 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.32
Log Po/w (XLOGP3) :	2.59
Log Po/w (WLOGP) :	1.68
Log Po/w (MLOGP) :	0.66
Log Po/w (SILICOS-IT) :	2.1
Consensus Log Po/w :	1.87

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.67
Solubility :	0.352 mg/ml ; 0.00212 mol/l
Class :	Soluble
Log S (Ali) :	-2.97
Solubility :	0.176 mg/ml ; 0.00106 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.0
Solubility :	0.166 mg/ml ; 0.001 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.57

Safety of [ 24683-00-9 ]

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 [ 24683-00-9 ]

* 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 [ 24683-00-9 ]

[ 24683-00-9 ] Synthesis Path-Upstream 1~4

1
[ 25680-53-9 ]
[ 74-88-4 ]
[ 24683-00-9 ]

Reference： [1] Journal of Labelled Compounds and Radiopharmaceuticals, 2003, vol. 46, # 3, p. 243 - 253

2
[ 124-41-4 ]
[ 57674-17-6 ]
[ 24683-00-9 ]

Reference： [1] Tetrahedron, 2010, vol. 66, # 13, p. 2463 - 2469

3
[ 25680-53-9 ]
[ 24683-00-9 ]

Reference： [1] Journal of Labelled Compounds and Radiopharmaceuticals, 2011, vol. 54, # 8, p. 438 - 440

4
[ 67-56-1 ]
[ 57674-17-6 ]
[ 24683-00-9 ]

Reference： [1] Journal of Labelled Compounds and Radiopharmaceuticals, 2011, vol. 54, # 8, p. 438 - 440

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Technical Information

? Alkyl Halide Occurrence ? Appel Reaction ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Bucherer-Bergs Reaction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chugaev Reaction ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Chaykovsky Reaction ? Corey-Fuchs Reaction ? Corey-Kim Oxidation ? Dess-Martin Oxidation ? Fischer Indole Synthesis ? General Reactivity ? Grignard Reaction ? Hantzsch Dihydropyridine Synthesis ? Henry Nitroaldol Reaction ? Hiyama Cross-Coupling Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Jones Oxidation ? Julia-Kocienski Olefination ? Kinetics of Alkyl Halides ? Knoevenagel Condensation ? Kumada Cross-Coupling Reaction ? Leuckart-Wallach Reaction ? Martin's Sulfurane Dehydrating Reagent ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Mitsunobu Reaction ? Moffatt Oxidation ? Mukaiyama Aldol Reaction ? Nomenclature of Ethers ? Nozaki-Hiyama-Kishi Reaction ? Oxidation of Alcohols by DMSO ? Passerini Reaction ? Paternò-Büchi Reaction ? Petasis Reaction ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Alcohols ? Preparation of Aldehydes and Ketones ? Preparation of Amines ? Preparation of Ethers ? Prins Reaction ? Reactions of Alcohols ? Reactions of Aldehydes and Ketones ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Dihalides ? Reactions of Ethers ? Reactions with Organometallic Reagents ? Reformatsky Reaction ? Ritter Reaction ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Sharpless Olefin Synthesis ? Stetter Reaction ? Stille Coupling ? Stobbe Condensation ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Swern Oxidation ? Tebbe Olefination ? Ugi Reaction ? Wittig Reaction ? Wolff-Kishner Reduction

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