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[ CAS No. 407600-14-0 ] {[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+
3d Animation Molecule Structure of 407600-14-0
Chemical Structure| 407600-14-0
Chemical Structure| 407600-14-0
Structure of 407600-14-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 407600-14-0 ]

CAS No. :407600-14-0 MDL No. :MFCD22207354
Formula : C8H11N5 Boiling Point : -
Linear Structure Formula :- InChI Key :USCCECGPGBGFOM-UHFFFAOYSA-N
M.W : 177.21 Pubchem ID :10511508
Synonyms :

Calculated chemistry of [ 407600-14-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.38
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 50.67
TPSA : 80.48 Ų

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) : -6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.59
Log Po/w (XLOGP3) : 0.94
Log Po/w (WLOGP) : 0.9
Log Po/w (MLOGP) : 0.24
Log Po/w (SILICOS-IT) : 1.36
Consensus Log Po/w : 0.81

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.91
Solubility : 2.17 mg/ml ; 0.0123 mol/l
Class : Very soluble
Log S (Ali) : -2.22
Solubility : 1.08 mg/ml ; 0.00607 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.0
Solubility : 0.176 mg/ml ; 0.000995 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.23

Safety of [ 407600-14-0 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P501-P270-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405 UN#:2811
Hazard Statements:H301-H315-H319-H341 Packing Group:
GHS Pictogram:
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