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[ CAS No. 914349-07-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 914349-07-8
Chemical Structure| 914349-07-8
Structure of 914349-07-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 914349-07-8 ]

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Product Details of [ 914349-07-8 ]

CAS No. :914349-07-8 MDL No. :MFCD05864712
Formula : C14H16N2O5 Boiling Point : -
Linear Structure Formula :- InChI Key :ZMPACHXTNKWGMG-UHFFFAOYSA-N
M.W : 292.29 Pubchem ID :40428534
Synonyms :

Calculated chemistry of [ 914349-07-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.36
Num. rotatable bonds : 5
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 79.09
TPSA : 97.28 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.55
Log Po/w (XLOGP3) : 2.21
Log Po/w (WLOGP) : 2.67
Log Po/w (MLOGP) : 1.08
Log Po/w (SILICOS-IT) : -0.16
Consensus Log Po/w : 1.67

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.03
Solubility : 0.272 mg/ml ; 0.00093 mol/l
Class : Soluble
Log S (Ali) : -3.89
Solubility : 0.0379 mg/ml ; 0.00013 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.56
Solubility : 0.805 mg/ml ; 0.00275 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.62

Safety of [ 914349-07-8 ]

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

Application In Synthesis of [ 914349-07-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 914349-07-8 ]

[ 914349-07-8 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 24424-99-5 ]
  • [ 215998-12-2 ]
  • [ 914349-07-8 ]
  • 2
  • [ 914349-07-8 ]
  • [ 1240467-07-5 ]
  • 3
  • [ 6146-52-7 ]
  • [ 914349-07-8 ]
  • 4
  • [ 6625-96-3 ]
  • [ 914349-07-8 ]
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