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[ CAS No. 1227962-62-0 ] {[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| 1227962-62-0
Chemical Structure| 1227962-62-0
Structure of 1227962-62-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1227962-62-0 ]

CAS No. :1227962-62-0 MDL No. :N/A
Formula : C22H12Cl4N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :QYPJBTMRYKRTFG-UHFFFAOYSA-N
M.W : 510.15 Pubchem ID :24797083
Synonyms :
Marinopyrrole-A;(±)-Marinopyrrole A

Calculated chemistry of [ 1227962-62-0 ]

Physicochemical Properties

Num. heavy atoms : 32
Num. arom. heavy atoms : 22
Fraction Csp3 : 0.0
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 123.95
TPSA : 95.32 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.38
Log Po/w (XLOGP3) : 8.03
Log Po/w (WLOGP) : 6.29
Log Po/w (MLOGP) : 2.73
Log Po/w (SILICOS-IT) : 6.04
Consensus Log Po/w : 5.3

Druglikeness

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

Water Solubility

Log S (ESOL) : -8.24
Solubility : 0.00000293 mg/ml ; 0.0000000057 mol/l
Class : Poorly soluble
Log S (Ali) : -9.89
Solubility : 0.0000000664 mg/ml ; 0.0000000001 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -8.57
Solubility : 0.00000139 mg/ml ; 0.0000000027 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.38

Safety of [ 1227962-62-0 ]

Signal Word:Danger Class:9
Precautionary Statements:P264-P270-P273-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338+P310-P332+P313-P391-P501 UN#:3077
Hazard Statements:H302+H312-H315-H318-H411 Packing Group:
GHS Pictogram:
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