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[ CAS No. 1655-07-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1655-07-8
Chemical Structure| 1655-07-8
Structure of 1655-07-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1655-07-8 ]

CAS No. :1655-07-8 MDL No. :MFCD00001631
Formula : C9H14O3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :FGSGHBPKHFDJOP-UHFFFAOYSA-N
M.W : 170.21 Pubchem ID :95543
Synonyms :

Calculated chemistry of [ 1655-07-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.78
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.75
TPSA : 43.37 ?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) : -6.33 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.81
Log Po/w (XLOGP3) : 1.42
Log Po/w (WLOGP) : 1.31
Log Po/w (MLOGP) : 0.9
Log Po/w (SILICOS-IT) : 1.82
Consensus Log Po/w : 1.45

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.59
Solubility : 4.36 mg/ml ; 0.0256 mol/l
Class : Very soluble
Log S (Ali) : -1.94
Solubility : 1.97 mg/ml ; 0.0116 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.68
Solubility : 3.55 mg/ml ; 0.0208 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.39

Safety of [ 1655-07-8 ]

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

Application In Synthesis of [ 1655-07-8 ]

* 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 [ 1655-07-8 ]

[ 1655-07-8 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 57508-48-2 ]
  • [ 1655-07-8 ]
  • [ 111655-66-4 ]
  • 2
  • [ 1655-07-8 ]
  • [ 119068-37-0 ]
  • [ 29569-79-7 ]
  • [ 61586-78-5 ]
  • [ 1655-06-7 ]
  • 3
  • [ 1004-38-2 ]
  • [ 1655-07-8 ]
  • [ 19191-79-8 ]
  • 4
  • [ 1004-38-2 ]
  • [ 1655-07-8 ]
  • 1,3-diamino-5,6,7,8-tetrahydro-2,9a,10-triazaanthracen-9-one [ No CAS ]
  • 2,4-diamino-5,6,7,8-tetrahydro-3,4a,10-triazaphenanthren-9-one [ No CAS ]
  • 5
  • [ 2406-90-8 ]
  • [ 1655-07-8 ]
  • 2,11-dichloro-7,8,9,10-tetrahydrothiazolo[5,4-a]acridine [ No CAS ]
  • 6
  • [ 104-21-2 ]
  • [ 1655-07-8 ]
  • ethyl 1-[(4-methoxyphenyl)methyl]-2-cyclohexanonecarboxylate [ No CAS ]
  • 8
  • [ 29608-05-7 ]
  • [ 1655-07-8 ]
  • C21H31N3O4 [ No CAS ]
  • 9
  • [ 2028-85-5 ]
  • [ 1655-07-8 ]
  • [ 59514-18-0 ]
  • 10
  • [ 38980-96-0 ]
  • [ 1655-07-8 ]
  • [ 1285661-67-7 ]
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