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[ CAS No. 223792-93-6 ] 4-(Bromomethyl)benzo[d]oxazole

Cat. No.: A327686
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| 223792-93-6
Chemical Structure| 223792-93-6
Structure of 223792-93-6 * Storage: Inert atmosphere,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
95% 50mg $236.00 Inquiry Inquiry
95% 250mg $286.00 Inquiry Inquiry
95% 1g $611.00 Inquiry Inquiry
95% 5g $1222.00 Inquiry Inquiry

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Product Details of [ 223792-93-6 ]

CAS No. :223792-93-6 MDL No. :MFCD13176879
Formula : C8H6BrNO Boiling Point : -
Linear Structure Formula :- InChI Key :HMNKDIONYRTFOV-UHFFFAOYSA-N
M.W : 212.04 Pubchem ID :22088437
Synonyms :

Calculated chemistry of [ 223792-93-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.12
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 46.85
TPSA : 26.03 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) : -5.95 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.14
Log Po/w (XLOGP3) : 2.32
Log Po/w (WLOGP) : 2.57
Log Po/w (MLOGP) : 1.79
Log Po/w (SILICOS-IT) : 2.89
Consensus Log Po/w : 2.34

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.16
Solubility : 0.148 mg/ml ; 0.000699 mol/l
Class : Soluble
Log S (Ali) : -2.51
Solubility : 0.662 mg/ml ; 0.00312 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.18
Solubility : 0.0141 mg/ml ; 0.0000664 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.41

Safety of [ 223792-93-6 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501 UN#:3261
Hazard Statements:H302-H314 Packing Group:
GHS Pictogram:
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