Home Cart 0 Sign in  

[ CAS No. 161796-78-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
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| 161796-78-7
Chemical Structure| 161796-78-7
Structure of 161796-78-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 161796-78-7 ]

Related Doc. of [ 161796-78-7 ]

Alternatived Products of [ 161796-78-7 ]

Product Details of [ 161796-78-7 ]

CAS No. :161796-78-7 MDL No. :MFCD07802816
Formula : C17H18N3NaO3S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 367.40 Pubchem ID :-
Synonyms :
(S)-Omeprazole sodium;Esomeprazole sodium;(-)-Omeprazole sodium

Calculated chemistry of [ 161796-78-7 ]

Physicochemical Properties

Num. heavy atoms : 25
Num. arom. heavy atoms : 15
Fraction Csp3 : 0.29
Num. rotatable bonds : 5
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 92.67
TPSA : 93.41 Ų

Pharmacokinetics

GI absorption : High
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) : -6.96 cm/s

Lipophilicity

Log Po/w (iLOGP) : -10.19
Log Po/w (XLOGP3) : 2.23
Log Po/w (WLOGP) : 3.24
Log Po/w (MLOGP) : 0.91
Log Po/w (SILICOS-IT) : 3.16
Consensus Log Po/w : -0.13

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.64
Solubility : 0.0848 mg/ml ; 0.000231 mol/l
Class : Soluble
Log S (Ali) : -3.83
Solubility : 0.0547 mg/ml ; 0.000149 mol/l
Class : Soluble
Log S (SILICOS-IT) : -6.47
Solubility : 0.000124 mg/ml ; 0.000000337 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.59

Safety of [ 161796-78-7 ]

Signal Word:Danger Class:9
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P362+P364-P403+P233-P501 UN#:3077
Hazard Statements:H302-H315-H318-H335-H410 Packing Group:
GHS Pictogram:
Same Skeleton Products
Historical Records

Similar Product of
[ 161796-78-7 ]

Chemical Structure| 119141-88-7

A388173[ 119141-88-7 ]

(S)-6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole

Reason: Free-salt