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[ CAS No. 3698-83-7 ] {[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| 3698-83-7
Chemical Structure| 3698-83-7
Structure of 3698-83-7 * Storage: {[proInfo.prStorage]}

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Product Details of [ 3698-83-7 ]

CAS No. :3698-83-7 MDL No. :MFCD00024186
Formula : C6H2Cl2N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :ZPXDNSYFDIHPOJ-UHFFFAOYSA-N
M.W : 237.00 Pubchem ID :77286
Synonyms :

Calculated chemistry of [ 3698-83-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 54.11
TPSA : 91.64 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.84 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.64
Log Po/w (XLOGP3) : 2.68
Log Po/w (WLOGP) : 2.81
Log Po/w (MLOGP) : 1.85
Log Po/w (SILICOS-IT) : -1.05
Consensus Log Po/w : 1.38

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.18
Solubility : 0.156 mg/ml ; 0.000656 mol/l
Class : Soluble
Log S (Ali) : -4.26
Solubility : 0.0131 mg/ml ; 0.0000554 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.4
Solubility : 0.948 mg/ml ; 0.004 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.32

Safety of [ 3698-83-7 ]

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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Reason: Stable Isotope

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