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[ CAS No. 1220-83-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1220-83-3
Chemical Structure| 1220-83-3
Structure of 1220-83-3 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1220-83-3 ]

CAS No. :1220-83-3 MDL No. :MFCD00063466
Formula : C11H12N4O3S Boiling Point : -
Linear Structure Formula :- InChI Key :WMPXPUYPYQKQCX-UHFFFAOYSA-N
M.W : 280.30 Pubchem ID :5332
Synonyms :
Chemical Name :4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide

Calculated chemistry of [ 1220-83-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.09
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 70.04
TPSA : 115.58 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.47 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.23
Log Po/w (XLOGP3) : 0.76
Log Po/w (WLOGP) : 1.77
Log Po/w (MLOGP) : -0.43
Log Po/w (SILICOS-IT) : -0.24
Consensus Log Po/w : 0.62

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.26
Solubility : 1.54 mg/ml ; 0.00549 mol/l
Class : Soluble
Log S (Ali) : -2.77
Solubility : 0.479 mg/ml ; 0.00171 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.91
Solubility : 0.0342 mg/ml ; 0.000122 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.64

Safety of [ 1220-83-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P272-P280-P302+P352+P333+P313+P363-P305+P351+P338+P337+P313-P501 UN#:N/A
Hazard Statements:H315-H317-H319 Packing Group:N/A
GHS Pictogram:
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