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[ CAS No. 104845-83-2 ] {[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+
Chemical Structure| 104845-83-2
Chemical Structure| 104845-83-2
Structure of 104845-83-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 104845-83-2 ]

CAS No. :104845-83-2 MDL No. :MFCD15832858
Formula : C2H10Cl2N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :XNYYURKIRXGDPZ-UHFFFAOYSA-N
M.W : 165.02 Pubchem ID :91667277
Synonyms :

Calculated chemistry of [ 104845-83-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 33.24
TPSA : 70.5 Ų

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) : -7.28 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.04
Log Po/w (WLOGP) : 0.37
Log Po/w (MLOGP) : -0.29
Log Po/w (SILICOS-IT) : -1.46
Consensus Log Po/w : -0.27

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.69
Solubility : 33.7 mg/ml ; 0.204 mol/l
Class : Very soluble
Log S (Ali) : -1.07
Solubility : 13.9 mg/ml ; 0.0845 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.64
Solubility : 722.0 mg/ml ; 4.38 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.59

Safety of [ 104845-83-2 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:1325
Hazard Statements:H315-H319-H228 Packing Group:
GHS Pictogram:
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