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[ CAS No. 85309-91-7 ] {[proInfo.proName]}

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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+
3d Animation Molecule Structure of 85309-91-7
Chemical Structure| 85309-91-7
Chemical Structure| 85309-91-7
Structure of 85309-91-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 85309-91-7 ]

CAS No. :85309-91-7 MDL No. :MFCD21337361
Formula : C9H10Cl2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :MCVIDUDFKDIJMZ-UHFFFAOYSA-N
M.W :221.08 Pubchem ID :13341669
Synonyms :

Calculated chemistry of [ 85309-91-7 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 53.29
TPSA : 29.46 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.47
Log Po/w (XLOGP3) : 1.87
Log Po/w (WLOGP) : 2.35
Log Po/w (MLOGP) : 2.39
Log Po/w (SILICOS-IT) : 3.17
Consensus Log Po/w : 2.45

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.47
Solubility : 0.755 mg/ml ; 0.00342 mol/l
Class : Soluble
Log S (Ali) : -2.11
Solubility : 1.71 mg/ml ; 0.00776 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.02
Solubility : 0.0213 mg/ml ; 0.0000962 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.92

Safety of [ 85309-91-7 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P270-P264-P280-P301+P312+P330-P305+P351+P338+P310 UN#:1759
Hazard Statements:H302-H318 Packing Group:
GHS Pictogram:
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