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[ CAS No. 92-48-8 ] 6-Methylcoumarin

Cat. No.: A224181
Chemical Structure| 92-48-8
Chemical Structure| 92-48-8
Structure of 92-48-8 * Storage: Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 5g $5.00 Inquiry Inquiry
97% 10g $6.00 Inquiry Inquiry
97% 25g $8.00 Inquiry Inquiry
97% 100g $22.00 Inquiry Inquiry
97% 500g $101.00 Inquiry Inquiry
97% 1kg $182.00 Inquiry Inquiry

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Product Details of [ 92-48-8 ]

CAS No. :92-48-8 MDL No. :MFCD00006875
Formula : C10H8O2 Boiling Point : -
Linear Structure Formula :- InChI Key :FXFYOPQLGGEACP-UHFFFAOYSA-N
M.W : 160.17 Pubchem ID :7092
Synonyms :
Chemical Name :6-Methyl-2H-chromen-2-one

Calculated chemistry of [ 92-48-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.1
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.45
TPSA : 30.21 Ų

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) : -6.03 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.03
Log Po/w (XLOGP3) : 1.75
Log Po/w (WLOGP) : 2.1
Log Po/w (MLOGP) : 1.95
Log Po/w (SILICOS-IT) : 2.94
Consensus Log Po/w : 2.15

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.55
Solubility : 0.449 mg/ml ; 0.0028 mol/l
Class : Soluble
Log S (Ali) : -2.0
Solubility : 1.6 mg/ml ; 0.00996 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.99
Solubility : 0.0165 mg/ml ; 0.000103 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.48

Safety of [ 92-48-8 ]

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 [ 92-48-8 ]

* 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 [ 92-48-8 ]

[ 92-48-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 19063-55-9 ]
  • [ 74-88-4 ]
  • [ 92-48-8 ]
  • 2
  • [ 92-48-8 ]
  • [ 851789-43-0 ]
  • [ 124937-51-5 ]
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