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[ CAS No. 152-11-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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| 152-11-4
Chemical Structure| 152-11-4
Structure of 152-11-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 152-11-4 ]

CAS No. :152-11-4 MDL No. :MFCD00055208
Formula : C27H39ClN2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :DOQPXTMNIUCOSY-UHFFFAOYSA-N
M.W : 491.06 Pubchem ID :62969
Synonyms :
CP-16533-1 hydrochloride;Verapamil (hydrochloride);NSC 657799;NSC 272366;(±)-Verapamil;CP-16533-1;Verapamil HCl;(±)-Verapamil hydrochloride
Chemical Name :5-((3,4-Dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile hydrochloride

Calculated chemistry of [ 152-11-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 34
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.52
Num. rotatable bonds : 13
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 139.43
TPSA : 63.95 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 4.59
Log Po/w (WLOGP) : 5.9
Log Po/w (MLOGP) : 3.16
Log Po/w (SILICOS-IT) : 5.89
Consensus Log Po/w : 3.91

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.18
Solubility : 0.00325 mg/ml ; 0.00000662 mol/l
Class : Moderately soluble
Log S (Ali) : -5.66
Solubility : 0.00108 mg/ml ; 0.0000022 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -8.0
Solubility : 0.0000049 mg/ml ; 0.00000001 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 3.84

Safety of [ 152-11-4 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P264-P270-P273-P301+P310+P330-P391-P405-P501 UN#:2811
Hazard Statements:H301-H411 Packing Group:
GHS Pictogram:
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[ 152-11-4 ]

Chemical Structure| 52-53-9

A149080[ 52-53-9 ]

5-((3,4-Dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile

Reason: Free-Salt

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