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[ CAS No. 1221288-23-8 ] {[proInfo.proName]}

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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+
3d Animation Molecule Structure of 1221288-23-8
Chemical Structure| 1221288-23-8
Chemical Structure| 1221288-23-8
Structure of 1221288-23-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1221288-23-8 ]

CAS No. :1221288-23-8 MDL No. :MFCD15071444
Formula : C9H8N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :APWKGIDYINRPKW-UHFFFAOYSA-N
M.W : 176.17 Pubchem ID :56973013
Synonyms :

Calculated chemistry of [ 1221288-23-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.11
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 47.95
TPSA : 55.12 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) : -6.59 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.16
Log Po/w (XLOGP3) : 1.1
Log Po/w (WLOGP) : 1.27
Log Po/w (MLOGP) : 1.04
Log Po/w (SILICOS-IT) : 0.78
Consensus Log Po/w : 1.07

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.85

Water Solubility

Log S (ESOL) : -2.07
Solubility : 1.49 mg/ml ; 0.00848 mol/l
Class : Soluble
Log S (Ali) : -1.85
Solubility : 2.49 mg/ml ; 0.0141 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.84
Solubility : 2.52 mg/ml ; 0.0143 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.42

Safety of [ 1221288-23-8 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:2811
Hazard Statements:H301 Packing Group:
GHS Pictogram:
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