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[ CAS No. 2331268-15-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
HazMat Fee +

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+
Chemical Structure| 2331268-15-4
Chemical Structure| 2331268-15-4
Structure of 2331268-15-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2331268-15-4 ]

CAS No. :2331268-15-4 MDL No. :MFCD30719646
Formula : C14H16ClN7 Boiling Point : -
Linear Structure Formula :- InChI Key :GICUKDNQFYVFHC-UHFFFAOYSA-N
M.W : 317.78 Pubchem ID :54607780
Synonyms :

Calculated chemistry of [ 2331268-15-4 ]

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 5.0
Molar Refractivity : 90.33
TPSA : 136.49 Ų

Pharmacokinetics

GI absorption : Low
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) : -6.29 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.75
Log Po/w (WLOGP) : 2.98
Log Po/w (MLOGP) : 2.58
Log Po/w (SILICOS-IT) : 1.5
Consensus Log Po/w : 1.96

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.62
Solubility : 0.0769 mg/ml ; 0.000242 mol/l
Class : Soluble
Log S (Ali) : -5.27
Solubility : 0.0017 mg/ml ; 0.00000536 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.53
Solubility : 0.00942 mg/ml ; 0.0000296 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 3.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.87

Safety of [ 2331268-15-4 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P501-P261-P270-P240-P210-P241-P271-P264-P280-P370+P378-P362+P364-P301+P312+P330-P302+P352+P312-P304+P340+P312 UN#:1325
Hazard Statements:H302+H312+H332-H228 Packing Group:
GHS Pictogram:
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