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[ CAS No. 10241-97-1 ] {[proInfo.proName]}

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Chemical Structure| 10241-97-1
Chemical Structure| 10241-97-1
Structure of 10241-97-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 10241-97-1 ]

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Product Details of [ 10241-97-1 ]

CAS No. :10241-97-1 MDL No. :MFCD00047166
Formula : C10H9NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :DAITVOCMWPNFTL-UHFFFAOYSA-N
M.W : 175.18 Pubchem ID :259188
Synonyms :

Calculated chemistry of [ 10241-97-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.1
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 50.22
TPSA : 53.09 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.47 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.39
Log Po/w (XLOGP3) : 2.67
Log Po/w (WLOGP) : 2.17
Log Po/w (MLOGP) : 1.38
Log Po/w (SILICOS-IT) : 2.34
Consensus Log Po/w : 1.99

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -3.05
Solubility : 0.155 mg/ml ; 0.000882 mol/l
Class : Soluble
Log S (Ali) : -3.44
Solubility : 0.0641 mg/ml ; 0.000366 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.04
Solubility : 0.159 mg/ml ; 0.00091 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.39

Safety of [ 10241-97-1 ]

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 [ 10241-97-1 ]

* 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 [ 10241-97-1 ]

[ 10241-97-1 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 91462-34-9 ]
  • [ 10241-97-1 ]
  • 3
  • [ 10241-97-1 ]
  • [ 78-95-5 ]
  • 5-Methyl-1H-indole-2-carboxylic acid 2-oxo-propyl ester [ No CAS ]
  • 4
  • [ 10241-97-1 ]
  • [ 147539-21-7 ]
  • 1-[5-Methylindolyl-2-carbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
EXAMPLE 89 1-[5-Methylindolyl-2-carbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine (III) Following the general procedure of EXAMPLE 16 and making non-critical variations but starting with <strong>[10241-97-1]5-methylindole-2-carboxylic acid</strong> (0.23 g), 1-[3-(1-methylethylamino)-2-pyridinyl]piperazine (0.29 g) and 1,1'-carbonyldiimidazole (0.21 g) the title compound is obtained, mp 199°-201°.
  • 5
  • [ 10241-97-1 ]
  • [ 614-96-0 ]
  • 7
  • [ 10241-97-1 ]
  • [ 39979-08-3 ]
  • 7-[(5-methyl-1<i>H</i>-indole-2-carbonyl)-amino]-heptanoic acid methyl ester [ No CAS ]
  • 8
  • [ 10241-97-1 ]
  • 7-amino-heptanoic acid benzyloxy-amide [ No CAS ]
  • 5-methyl-1<i>H</i>-indole-2-carboxylic acid (6-benzyloxycarbamoyl-hexyl)-amide [ No CAS ]
  • 9
  • [ 109-01-3 ]
  • [ 10241-97-1 ]
  • (5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone [ No CAS ]
  • 10
  • [ 10241-97-1 ]
  • [ 403860-64-0 ]
  • 5-methyl-1<i>H</i>-indole-2-carboxylic acid (1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-amide [ No CAS ]
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