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[ CAS No. 1210-34-0 ] {[proInfo.proName]}

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Chemical Structure| 1210-34-0
Chemical Structure| 1210-34-0
Structure of 1210-34-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1210-34-0 ]

CAS No. :1210-34-0 MDL No. :MFCD00003593
Formula : C15H14O Boiling Point : -
Linear Structure Formula :- InChI Key :POAVRNPUPPJLKZ-UHFFFAOYSA-N
M.W : 210.27 Pubchem ID :14588
Synonyms :

Calculated chemistry of [ 1210-34-0 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.2
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 64.87
TPSA : 20.23 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.43 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.32
Log Po/w (XLOGP3) : 3.03
Log Po/w (WLOGP) : 2.54
Log Po/w (MLOGP) : 3.2
Log Po/w (SILICOS-IT) : 3.55
Consensus Log Po/w : 2.93

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.61
Solubility : 0.0519 mg/ml ; 0.000247 mol/l
Class : Soluble
Log S (Ali) : -3.12
Solubility : 0.159 mg/ml ; 0.000758 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.95
Solubility : 0.00239 mg/ml ; 0.0000114 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.02

Safety of [ 1210-34-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1210-34-0 ]

* 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.

  • Upstream synthesis route of [ 1210-34-0 ]
  • Downstream synthetic route of [ 1210-34-0 ]

[ 1210-34-0 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 1210-34-0 ]
  • [ 10354-00-4 ]
Reference: [1] Revue Roumaine de Chimie, 2010, vol. 55, # 10, p. 711 - 714
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