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[ CAS No. 1429749-41-6 ] {[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| 1429749-41-6
Chemical Structure| 1429749-41-6
Structure of 1429749-41-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1429749-41-6 ]

CAS No. :1429749-41-6 MDL No. :MFCD30738003
Formula : C34H51N3O3S Boiling Point : -
Linear Structure Formula :- InChI Key :CJQGLLUJIVNREL-HKBQPEDESA-N
M.W : 581.85 Pubchem ID :126843233
Synonyms :
TM

Calculated chemistry of [ 1429749-41-6 ]

Physicochemical Properties

Num. heavy atoms : 41
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.56
Num. rotatable bonds : 26
Num. H-bond acceptors : 3.0
Num. H-bond donors : 3.0
Molar Refractivity : 176.45
TPSA : 111.55 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -3.03 cm/s

Lipophilicity

Log Po/w (iLOGP) : 6.2
Log Po/w (XLOGP3) : 9.61
Log Po/w (WLOGP) : 8.37
Log Po/w (MLOGP) : 4.96
Log Po/w (SILICOS-IT) : 9.51
Consensus Log Po/w : 7.73

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -8.0
Solubility : 0.00000579 mg/ml ; 0.00000001 mol/l
Class : Poorly soluble
Log S (Ali) : -11.87
Solubility : 0.0000000008 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -11.9
Solubility : 0.0000000007 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.06

Safety of [ 1429749-41-6 ]

Signal Word:Danger Class:9
Precautionary Statements:P260-P264-P270-P273-P280-P301+P312+P330-P304+P312-P305+P351+P338-P314-P337+P313-P391-P501 UN#:3077
Hazard Statements:H302-H319-H332-H372-H400 Packing Group:
GHS Pictogram:
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