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[ CAS No. 204251-24-1 ] {[proInfo.proName]}

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Chemical Structure| 204251-24-1
Chemical Structure| 204251-24-1
Structure of 204251-24-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 204251-24-1 ]

CAS No. :204251-24-1 MDL No. :MFCD00150485
Formula : C24H29NO7 Boiling Point : -
Linear Structure Formula :- InChI Key :NMBGBVUJSPZRDD-BDQAORGHSA-N
M.W : 443.49 Pubchem ID :2724636
Synonyms :

Calculated chemistry of [ 204251-24-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 32
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.38
Num. rotatable bonds : 11
Num. H-bond acceptors : 7.0
Num. H-bond donors : 3.0
Molar Refractivity : 118.38
TPSA : 111.16 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.61 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.09
Log Po/w (XLOGP3) : 3.38
Log Po/w (WLOGP) : 4.04
Log Po/w (MLOGP) : 1.98
Log Po/w (SILICOS-IT) : 3.74
Consensus Log Po/w : 3.25

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.27
Solubility : 0.0238 mg/ml ; 0.0000536 mol/l
Class : Moderately soluble
Log S (Ali) : -5.39
Solubility : 0.00179 mg/ml ; 0.00000405 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.13
Solubility : 0.000327 mg/ml ; 0.000000738 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.47

Safety of [ 204251-24-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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