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[ CAS No. 150010-20-1 ] 2-Bromo-5-methylpyrimidine

Cat. No.: A257537
Chemical Structure| 150010-20-1
Chemical Structure| 150010-20-1
Structure of 150010-20-1 * Storage: Inert atmosphere,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
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* Storage: Inert atmosphere,Room Temperature

* Shipping: Normal

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Product Details of [ 150010-20-1 ]

CAS No. :150010-20-1 MDL No. :MFCD09753737
Formula : C5H5BrN2 Boiling Point : -
Linear Structure Formula :- InChI Key :KYCGEJNZMHUBMX-UHFFFAOYSA-N
M.W : 173.01 Pubchem ID :45789625
Synonyms :

Calculated chemistry of [ 150010-20-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.2
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 34.7
TPSA : 25.78 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) : -6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.85
Log Po/w (XLOGP3) : 1.59
Log Po/w (WLOGP) : 1.55
Log Po/w (MLOGP) : 0.72
Log Po/w (SILICOS-IT) : 2.08
Consensus Log Po/w : 1.56

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.47
Solubility : 0.587 mg/ml ; 0.00339 mol/l
Class : Soluble
Log S (Ali) : -1.74
Solubility : 3.13 mg/ml ; 0.0181 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.89
Solubility : 0.224 mg/ml ; 0.0013 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.56

Safety of [ 150010-20-1 ]

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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