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Chemistry
Organic Building Blocks
Pyridines
4-(benzyloxy)aniline
2,6-Dichloro-4-isopropylnicotinonitrile
Chemistry
Organic Building Blocks
Heterocyclic Building Blocks
Pyridines
Amines Chlorides Ethers Nitriles
4-(benzyloxy)aniline

[ CAS No. 503843-54-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 503843-54-7
Chemical Structure| 503843-54-7
Structure of 503843-54-7 * Storage: {[proInfo.prStorage]}

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For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 503843-54-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 503843-54-7 ]

SDS Specification
Alternatived Products of [ 503843-54-7 ]
Product Citations

Product Details of [ 503843-54-7 ]

CAS No. :503843-54-7 MDL No. :MFCD23098032
Formula : C9H8Cl2N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :HVFVSBDQCMUTKF-UHFFFAOYSA-N
M.W : 215.08 Pubchem ID :84680735
Synonyms :

Calculated chemistry of [ 503843-54-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 53.55
TPSA : 36.68 Ų

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) : -5.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.31
Log Po/w (XLOGP3) : 3.62
Log Po/w (WLOGP) : 3.38
Log Po/w (MLOGP) : 1.91
Log Po/w (SILICOS-IT) : 3.54
Consensus Log Po/w : 2.95

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.73
Solubility : 0.0401 mg/ml ; 0.000186 mol/l
Class : Soluble
Log S (Ali) : -4.08
Solubility : 0.018 mg/ml ; 0.0000836 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.17
Solubility : 0.0144 mg/ml ; 0.0000671 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.09

Safety of [ 503843-54-7 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H331 Packing Group:Ⅲ
GHS Pictogram:

Tags: 503843-54-7 synthesis path| 503843-54-7 SDS| 503843-54-7 COA| 503843-54-7 purity| 503843-54-7 application| 503843-54-7 NMR| 503843-54-7 COA| 503843-54-7 structure

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Isomers
Categories
Chemistry
Organic Building Blocks
Amines
4-(benzyloxy)aniline
Chemistry
Organic Building Blocks
Ethers
4-(benzyloxy)aniline
Chemistry
Heterocyclic Building Blocks
Pyridines
Chemistry
Organic Building Blocks
Chlorides
Chemistry
Organic Building Blocks
Nitriles

Technical Information

• Alkyl Halide Occurrence • Blaise Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Catalytic Hydrogenation • Chan-Lam Coupling Reaction • Complex Metal Hydride Reductions • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Hydride Reductions • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Leuckart-Wallach Reaction • Mannich Reaction • Nomenclature of Ethers • Petasis Reaction • Preparation of Aldehydes and Ketones • Preparation of Amines • Preparation of Ethers • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Ethers • Ritter Reaction • Specialized Acylation Reagents-Vilsmeier Reagent • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Thorpe-Ziegler Reaction • Ugi Reaction
Historical Records

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[ 503843-54-7 ]

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