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[ CAS No. 861299-14-1 ] 4-Chloro-2-methoxyaniline hydrochloride

Cat. No.: A383566
Chemical Structure| 861299-14-1
Chemical Structure| 861299-14-1
Structure of 861299-14-1 * Storage: Inert atmosphere,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 1g $21.00 Inquiry Inquiry
97% 5g $80.00 Inquiry Inquiry
97% 10g $136.00 Inquiry Inquiry
97% 25g $270.00 Inquiry Inquiry

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* Storage: Inert atmosphere,Room Temperature

* Shipping: Normal

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Product Details of [ 861299-14-1 ]

CAS No. :861299-14-1 MDL No. :MFCD06801386
Formula : C7H9Cl2NO Boiling Point : -
Linear Structure Formula :- InChI Key :ZWGTWKFPYRUXKT-UHFFFAOYSA-N
M.W : 194.06 Pubchem ID :46739574
Synonyms :

Calculated chemistry of [ 861299-14-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 49.31
TPSA : 35.25 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.6 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.66
Log Po/w (WLOGP) : 2.74
Log Po/w (MLOGP) : 2.06
Log Po/w (SILICOS-IT) : 1.75
Consensus Log Po/w : 1.84

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.06
Solubility : 0.17 mg/ml ; 0.000878 mol/l
Class : Soluble
Log S (Ali) : -3.05
Solubility : 0.172 mg/ml ; 0.000888 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.77
Solubility : 0.33 mg/ml ; 0.0017 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.39

Safety of [ 861299-14-1 ]

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:
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