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[ CAS No. 24259-59-4 ] {[proInfo.proName]}

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Chemical Structure| 24259-59-4
Chemical Structure| 24259-59-4
Structure of 24259-59-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 24259-59-4 ]

CAS No. :24259-59-4 MDL No. :MFCD00167010
Formula : C5H10O5 Boiling Point : -
Linear Structure Formula :- InChI Key :PYMYPHUHKUWMLA-MROZADKFSA-N
M.W : 150.13 Pubchem ID :90428
Synonyms :

Calculated chemistry of [ 24259-59-4 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 4.0
Molar Refractivity : 31.0
TPSA : 97.99 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.86 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.76
Log Po/w (XLOGP3) : -2.32
Log Po/w (WLOGP) : -2.74
Log Po/w (MLOGP) : -2.48
Log Po/w (SILICOS-IT) : -1.29
Consensus Log Po/w : -1.92

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.95
Solubility : 1350.0 mg/ml ; 9.01 mol/l
Class : Highly soluble
Log S (Ali) : 0.8
Solubility : 944.0 mg/ml ; 6.29 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 1.94
Solubility : 13000.0 mg/ml ; 86.9 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.81

Safety of [ 24259-59-4 ]

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 [ 24259-59-4 ]

* 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 [ 24259-59-4 ]
  • Downstream synthetic route of [ 24259-59-4 ]

[ 24259-59-4 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 24259-59-4 ]
  • [ 98-88-4 ]
  • [ 3080-30-6 ]
Reference: [1] Patent: US6130326, 2000, A,
  • 2
  • [ 24259-59-4 ]
  • [ 108-24-7 ]
  • [ 98-88-4 ]
  • [ 3080-30-6 ]
Reference: [1] Patent: EP1254911, 2002, A1, . Location in patent: Example 13
  • 3
  • [ 5328-37-0 ]
  • [ 609-06-3 ]
  • [ 1949-78-6 ]
  • [ 24259-59-4 ]
Reference: [1] Australian Journal of Chemistry, 2005, vol. 58, # 1, p. 58 - 59
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