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[ CAS No. 74431-23-5 ] {[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| 74431-23-5
Chemical Structure| 74431-23-5
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Product Details of [ 74431-23-5 ]

CAS No. :74431-23-5 MDL No. :MFCD09753321
Formula : C12H19N3O5S Boiling Point : -
Linear Structure Formula :- InChI Key :GSOSVVULSKVSLQ-JJVRHELESA-N
M.W : 317.36 Pubchem ID :5282372
Synonyms :
N-Formimidoyl thienamycin monohydrate;MK0787 monohydrate;N-Formimidoyl Thienamycin;Imipenem (hydrate);Imipenem
Chemical Name :(5R,6S)-3-((2-Formimidamidoethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate

Calculated chemistry of [ 74431-23-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.58
Num. rotatable bonds : 7
Num. H-bond acceptors : 6.0
Num. H-bond donors : 5.0
Molar Refractivity : 82.07
TPSA : 148.25 ?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) : -8.8 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.83
Log Po/w (XLOGP3) : -0.79
Log Po/w (WLOGP) : -0.62
Log Po/w (MLOGP) : -0.5
Log Po/w (SILICOS-IT) : -0.16
Consensus Log Po/w : -0.25

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -0.85
Solubility : 45.0 mg/ml ; 0.142 mol/l
Class : Very soluble
Log S (Ali) : -1.84
Solubility : 4.54 mg/ml ; 0.0143 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.56
Solubility : 86.6 mg/ml ; 0.273 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 4.61

Safety of [ 74431-23-5 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P272-P280-P284-P302+P352-P304+P340-P333+P313-P342+P311-P362+P364-P501 UN#:2811
Hazard Statements:H317-H334 Packing Group:Ⅲ
GHS Pictogram:
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