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[ CAS No. 1369773-39-6 ] {[proInfo.proName]}

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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| 1369773-39-6
Chemical Structure| 1369773-39-6
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Product Details of [ 1369773-39-6 ]

CAS No. :1369773-39-6 MDL No. :MFCD28137893
Formula : C48H56CaN2O10 Boiling Point : -
Linear Structure Formula :- InChI Key :DDLCKLBRBPYKQS-OXXXZDCLSA-L
M.W : 861.04 Pubchem ID :92045585
Synonyms :
AHU-377 hemicalcium salt;AHU377 (calcium salt);Sacubitril
Chemical Name :Calcium 4-(((2S,4R)-1-([1,1'-biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoate

Calculated chemistry of [ 1369773-39-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 61
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.38
Num. rotatable bonds : 26
Num. H-bond acceptors : 10.0
Num. H-bond donors : 2.0
Molar Refractivity : 227.67
TPSA : 191.06 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.24 cm/s

Lipophilicity

Log Po/w (iLOGP) : -41.89
Log Po/w (XLOGP3) : 7.48
Log Po/w (WLOGP) : 5.0
Log Po/w (MLOGP) : 4.22
Log Po/w (SILICOS-IT) : 4.73
Consensus Log Po/w : -4.09

Druglikeness

Lipinski : 3.0
Ghose : None
Veber : 2.0
Egan : 1.0
Muegge : 4.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -8.47
Solubility : 0.00000294 mg/ml ; 0.0000000034 mol/l
Class : Poorly soluble
Log S (Ali) : -11.33
Solubility : 0.0000000041 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -6.79
Solubility : 0.000141 mg/ml ; 0.000000164 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 6.4

Safety of [ 1369773-39-6 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P273-P301+P310+P330 UN#:2811
Hazard Statements:H301-H400 Packing Group:Ⅲ
GHS Pictogram:
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[ 1369773-39-6 ]

Chemical Structure| 149709-62-6

A269433[ 149709-62-6 ]

4-(((2S,4R)-1-([1,1'-Biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoic acid

Reason: Free-salt

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