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Chemistry
Heterocyclic Building Blocks
Pyridines
1-(3-Chloropyridin-2-yl)piperidin-4-amine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyridines
Piperidines Amines Chlorides

[ CAS No. 777009-05-9 ]

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 777009-05-9
Chemical Structure| 777009-05-9
Chemical Structure| 777009-05-9
Structure of 777009-05-9 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 777009-05-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 777009-05-9 ]

SDS Specification
Alternatived Products of [ 777009-05-9 ]

Product Details of [ 777009-05-9 ]

CAS No. :777009-05-9 MDL No. :MFCD08060987
Formula : C10H14ClN3 Boiling Point : -
Linear Structure Formula :- InChI Key :FAWPECUVIHDRTQ-UHFFFAOYSA-N
M.W :211.69 Pubchem ID :12760108
Synonyms :

Calculated chemistry of [ 777009-05-9 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 61.4
TPSA : 42.15 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) : -6.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.01
Log Po/w (XLOGP3) : 1.55
Log Po/w (WLOGP) : 1.28
Log Po/w (MLOGP) : 1.53
Log Po/w (SILICOS-IT) : 1.5
Consensus Log Po/w : 1.57

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.38
Solubility : 0.882 mg/ml ; 0.00417 mol/l
Class : Soluble
Log S (Ali) : -2.04
Solubility : 1.91 mg/ml ; 0.00902 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.78
Solubility : 0.35 mg/ml ; 0.00165 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.45

Safety of [ 777009-05-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Tags: 777009-05-9 synthesis path| 777009-05-9 SDS| 777009-05-9 COA| 777009-05-9 purity| 777009-05-9 application| 777009-05-9 NMR| 777009-05-9 COA| 777009-05-9 structure

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