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[ CAS No. 6902-77-8 ] {[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| 6902-77-8
Chemical Structure| 6902-77-8
Structure of 6902-77-8 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 6902-77-8 ]

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Product Details of [ 6902-77-8 ]

CAS No. :6902-77-8 MDL No. :MFCD00888600
Formula : C11H14O5 Boiling Point : -
Linear Structure Formula :- InChI Key :AZKVWQKMDGGDSV-BCMRRPTOSA-N
M.W : 226.23 Pubchem ID :442424
Synonyms :
(+)-Genipin

Calculated chemistry of [ 6902-77-8 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.55
Num. rotatable bonds : 3
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 54.51
TPSA : 75.99 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) : -8.21 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.94
Log Po/w (XLOGP3) : -0.75
Log Po/w (WLOGP) : -0.05
Log Po/w (MLOGP) : 0.12
Log Po/w (SILICOS-IT) : 0.11
Consensus Log Po/w : 0.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.57
Solubility : 60.6 mg/ml ; 0.268 mol/l
Class : Very soluble
Log S (Ali) : -0.37
Solubility : 96.8 mg/ml ; 0.428 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.01
Solubility : 233.0 mg/ml ; 1.03 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.48

Safety of [ 6902-77-8 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P301+P310+P330 UN#:2811
Hazard Statements:H301 Packing Group:
GHS Pictogram:
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