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Product Details of [ 2344-70-9 ]

CAS No. :2344-70-9 MDL No. :MFCD00044349
Formula : C10H14O Boiling Point : -
Linear Structure Formula :C6H5CH2CH2CH(OH)CH3 InChI Key :GDWRKZLROIFUML-UHFFFAOYSA-N
M.W : 150.22 Pubchem ID :61302
Synonyms :

Calculated chemistry of [ 2344-70-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.4
Num. rotatable bonds : 3
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 46.99
TPSA : 20.23 Ų

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) : -5.53 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.25
Log Po/w (XLOGP3) : 2.38
Log Po/w (WLOGP) : 2.0
Log Po/w (MLOGP) : 2.49
Log Po/w (SILICOS-IT) : 2.52
Consensus Log Po/w : 2.33

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.48
Solubility : 0.502 mg/ml ; 0.00334 mol/l
Class : Soluble
Log S (Ali) : -2.45
Solubility : 0.538 mg/ml ; 0.00358 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.05
Solubility : 0.134 mg/ml ; 0.000895 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.34

Safety of [ 2344-70-9 ]

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:

Application In Synthesis of [ 2344-70-9 ]

* 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 [ 2344-70-9 ]

[ 2344-70-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 2344-70-9 ]
  • [ 1520-44-1 ]
  • 2
  • [ 55589-47-4 ]
  • [ 54010-75-2 ]
  • [ 1539-42-0 ]
  • [ 2344-70-9 ]
  • [ 75-05-8 ]
  • C31H35N5OZn(2+) [ No CAS ]
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