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[ CAS No. 1823366-87-5 ] {[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| 1823366-87-5
Chemical Structure| 1823366-87-5
Structure of 1823366-87-5 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 1823366-87-5 ]

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Product Details of [ 1823366-87-5 ]

CAS No. :1823366-87-5 MDL No. :MFCD28064135
Formula : C6H7IN2 Boiling Point : -
Linear Structure Formula :- InChI Key :PEYFMTYKIYDKDL-UHFFFAOYSA-N
M.W : 234.04 Pubchem ID :68884617
Synonyms :

Calculated chemistry of [ 1823366-87-5 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 44.63
TPSA : 38.91 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.44 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.67
Log Po/w (XLOGP3) : 0.4
Log Po/w (WLOGP) : 0.99
Log Po/w (MLOGP) : 0.82
Log Po/w (SILICOS-IT) : 1.94
Consensus Log Po/w : 1.16

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.97
Solubility : 2.51 mg/ml ; 0.0107 mol/l
Class : Very soluble
Log S (Ali) : -0.78
Solubility : 38.5 mg/ml ; 0.165 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.03
Solubility : 0.219 mg/ml ; 0.000938 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 1823366-87-5 ]

Signal Word:Danger Class:8
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501 UN#:2735
Hazard Statements:H315-H318-H335 Packing Group:
GHS Pictogram:
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