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[ CAS No. 55408-10-1 ] {[proInfo.proName]}

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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| 55408-10-1
Chemical Structure| 55408-10-1
Structure of 55408-10-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 55408-10-1 ]

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Product Details of [ 55408-10-1 ]

CAS No. :55408-10-1 MDL No. :MFCD00243017
Formula : C4H6N4O2 Boiling Point : No data available
Linear Structure Formula :N4HCC(O)OCH2CH3 InChI Key :JBEHAOGLPHSQSL-UHFFFAOYSA-N
M.W : 142.12 Pubchem ID :7020281
Synonyms :
Chemical Name :Ethyl 1H-tetrazole-5-carboxylate

Calculated chemistry of [ 55408-10-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.5
Num. rotatable bonds : 3
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 30.26
TPSA : 80.76 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.1 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.6
Log Po/w (XLOGP3) : 0.1
Log Po/w (WLOGP) : -0.62
Log Po/w (MLOGP) : -0.42
Log Po/w (SILICOS-IT) : 0.33
Consensus Log Po/w : 0.0

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -0.96
Solubility : 15.7 mg/ml ; 0.111 mol/l
Class : Very soluble
Log S (Ali) : -1.35
Solubility : 6.33 mg/ml ; 0.0446 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.95
Solubility : 16.1 mg/ml ; 0.113 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.92

Safety of [ 55408-10-1 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:1325
Hazard Statements:H315-H319-H228 Packing Group:
GHS Pictogram:
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