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[ CAS No. 120737-59-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 120737-59-9
Chemical Structure| 120737-59-9
Structure of 120737-59-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 120737-59-9 ]

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Product Details of [ 120737-59-9 ]

CAS No. :120737-59-9 MDL No. :MFCD03001706
Formula : C10H20N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :FMLPQHJYUZTHQS-UHFFFAOYSA-N
M.W : 200.28 Pubchem ID :2756810
Synonyms :

Calculated chemistry of [ 120737-59-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.9
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 63.31
TPSA : 41.57 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.89 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.67
Log Po/w (XLOGP3) : 0.89
Log Po/w (WLOGP) : 0.45
Log Po/w (MLOGP) : 0.86
Log Po/w (SILICOS-IT) : 0.6
Consensus Log Po/w : 1.09

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.44
Solubility : 7.2 mg/ml ; 0.0359 mol/l
Class : Very soluble
Log S (Ali) : -1.35
Solubility : 8.99 mg/ml ; 0.0449 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.44
Solubility : 7.29 mg/ml ; 0.0364 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.72

Safety of [ 120737-59-9 ]

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 [ 120737-59-9 ]

* 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 [ 120737-59-9 ]

[ 120737-59-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 902586-59-8 ]
  • [ 120737-59-9 ]
  • propyl (RS)-4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3-methylpiperazine-1-carboxylate [ No CAS ]
  • 2
  • [ 902586-59-8 ]
  • [ 120737-59-9 ]
  • tert-butyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3-methylpiperazine-1-carboxylate [ No CAS ]
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