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[ CAS No. 636-95-3 ] {[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| 636-95-3
Chemical Structure| 636-95-3
Structure of 636-95-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 636-95-3 ]

CAS No. :636-95-3 MDL No. :MFCD00012939
Formula : C6H8ClN3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :BKOYKMLGFFASBG-UHFFFAOYSA-N
M.W : 189.60 Pubchem ID :5464285
Synonyms :

Calculated chemistry of [ 636-95-3 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 49.44
TPSA : 83.87 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) : -6.28 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.66
Log Po/w (WLOGP) : 1.49
Log Po/w (MLOGP) : 0.59
Log Po/w (SILICOS-IT) : -1.79
Consensus Log Po/w : 0.39

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.3
Solubility : 0.952 mg/ml ; 0.00502 mol/l
Class : Soluble
Log S (Ali) : -3.04
Solubility : 0.175 mg/ml ; 0.000922 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.46
Solubility : 6.65 mg/ml ; 0.0351 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.3

Safety of [ 636-95-3 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P501-P261-P270-P240-P210-P241-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312 UN#:1325
Hazard Statements:H302+H312+H332-H315-H319-H228 Packing Group:
GHS Pictogram:
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