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[ CAS No. 88150-42-9 ] {[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| 88150-42-9
Chemical Structure| 88150-42-9
Structure of 88150-42-9 * Storage: {[proInfo.prStorage]}

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Product Details of [ 88150-42-9 ]

CAS No. :88150-42-9 MDL No. :MFCD00864687
Formula : C20H25ClN2O5 Boiling Point : -
Linear Structure Formula :- InChI Key :HTIQEAQVCYTUBX-UHFFFAOYSA-N
M.W : 408.88 Pubchem ID :2162
Synonyms :
Intervask;UK-48340;Pelmec
Chemical Name :3-Ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Calculated chemistry of [ 88150-42-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 28
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.4
Num. rotatable bonds : 10
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 108.93
TPSA : 99.88 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.66 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.17
Log Po/w (XLOGP3) : 3.0
Log Po/w (WLOGP) : 1.89
Log Po/w (MLOGP) : 1.33
Log Po/w (SILICOS-IT) : 3.21
Consensus Log Po/w : 2.52

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.76
Solubility : 0.0705 mg/ml ; 0.000172 mol/l
Class : Soluble
Log S (Ali) : -4.76
Solubility : 0.00708 mg/ml ; 0.0000173 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.62
Solubility : 0.000985 mg/ml ; 0.00000241 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.39

Safety of [ 88150-42-9 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P264-P270-P280-P305+P351+P338-P310-P330-P405-P501 UN#:2811
Hazard Statements:H301-H318-H373-H410 Packing Group:Ⅲ
GHS Pictogram:
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[ 88150-42-9 ]

Chemical Structure| 3048033-49-1

A1631399[ 3048033-49-1 ]

3-Ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1-nitroso-1,4-dihydropyridine-3,5-dicarboxylate

Reason: Derivatives

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