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[ CAS No. 2430-27-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2430-27-5
Chemical Structure| 2430-27-5
Structure of 2430-27-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2430-27-5 ]

CAS No. :2430-27-5 MDL No. :MFCD00051534
Formula : C8H17NO Boiling Point : -
Linear Structure Formula :- InChI Key :OMOMUFTZPTXCHP-UHFFFAOYSA-N
M.W : 143.23 Pubchem ID :71113
Synonyms :
Depamide;Dipropylacetamide;2-propylpentanamide

Calculated chemistry of [ 2430-27-5 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.88
Num. rotatable bonds : 5
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 43.48
TPSA : 43.09 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) : -5.68 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.95
Log Po/w (XLOGP3) : 2.1
Log Po/w (WLOGP) : 1.69
Log Po/w (MLOGP) : 1.55
Log Po/w (SILICOS-IT) : 1.36
Consensus Log Po/w : 1.73

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.72
Solubility : 2.72 mg/ml ; 0.019 mol/l
Class : Very soluble
Log S (Ali) : -2.64
Solubility : 0.332 mg/ml ; 0.00232 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.89
Solubility : 1.86 mg/ml ; 0.013 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.11

Safety of [ 2430-27-5 ]

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

Application In Synthesis of [ 2430-27-5 ]

* 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 [ 2430-27-5 ]
  • Downstream synthetic route of [ 2430-27-5 ]

[ 2430-27-5 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 2936-08-5 ]
  • [ 2430-27-5 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 22, p. 5465 - 5467
[2] Journal of Medicinal Chemistry, 2007, vol. 50, # 25, p. 6419 - 6427
[3] Journal of Medicinal Chemistry, 2009, vol. 52, # 22, p. 7236 - 7248
  • 2
  • [ 99-66-1 ]
  • [ 2430-27-5 ]
Reference: [1] Chemistry - A European Journal, 2016, vol. 22, # 39, p. 14042 - 14047
  • 3
  • [ 66546-91-6 ]
  • [ 2430-27-5 ]
Reference: [1] Gazzetta Chimica Italiana, 1896, vol. 26 II, p. 245
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