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[ CAS No. 1201-07-6 ] {[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+
Chemical Structure| 1201-07-6
Chemical Structure| 1201-07-6
Structure of 1201-07-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1201-07-6 ]

CAS No. :1201-07-6 MDL No. :MFCD00272432
Formula : C10H7BrClN Boiling Point : -
Linear Structure Formula :- InChI Key :SDVHWORPDUOWDV-UHFFFAOYSA-N
M.W : 256.53 Pubchem ID :768483
Synonyms :

Calculated chemistry of [ 1201-07-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.1
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 59.42
TPSA : 12.89 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.09 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.62
Log Po/w (XLOGP3) : 3.91
Log Po/w (WLOGP) : 3.96
Log Po/w (MLOGP) : 3.39
Log Po/w (SILICOS-IT) : 4.2
Consensus Log Po/w : 3.62

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.46
Solubility : 0.00883 mg/ml ; 0.0000344 mol/l
Class : Moderately soluble
Log S (Ali) : -3.88
Solubility : 0.0339 mg/ml ; 0.000132 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.56
Solubility : 0.000707 mg/ml ; 0.00000275 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.52

Safety of [ 1201-07-6 ]

Signal Word:Danger Class:8,6.1
Precautionary Statements:P280-P301+P310-P305+P351+P338 UN#:2923
Hazard Statements:H301-H318 Packing Group:
GHS Pictogram:
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