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[ CAS No. 15384-34-6 ] {[proInfo.proName]}

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Chemical Structure| 15384-34-6
Chemical Structure| 15384-34-6
Structure of 15384-34-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 15384-34-6 ]

CAS No. :15384-34-6 MDL No. :MFCD00270021
Formula : C5H8O5 Boiling Point : -
Linear Structure Formula :- InChI Key :CUOKHACJLGPRHD-UZBSEBFBSA-N
M.W : 148.11 Pubchem ID :11829598
Synonyms :

Calculated chemistry of [ 15384-34-6 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 1
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 28.81
TPSA : 86.99 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) : -8.2 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.17
Log Po/w (XLOGP3) : -1.41
Log Po/w (WLOGP) : -2.37
Log Po/w (MLOGP) : -2.06
Log Po/w (SILICOS-IT) : -1.07
Consensus Log Po/w : -1.35

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.2
Solubility : 233.0 mg/ml ; 1.57 mol/l
Class : Highly soluble
Log S (Ali) : 0.09
Solubility : 180.0 mg/ml ; 1.22 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 1.41
Solubility : 3830.0 mg/ml ; 25.9 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.95

Safety of [ 15384-34-6 ]

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 [ 15384-34-6 ]

* 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 [ 15384-34-6 ]
  • Downstream synthetic route of [ 15384-34-6 ]

[ 15384-34-6 ] Synthesis Path-Upstream   1~9

  • 1
  • [ 1114-34-7 ]
  • [ 15384-34-6 ]
Reference: [1] Carbohydrate Research, 1997, vol. 300, # 2, p. 139 - 142
[2] Patent: WO2014/32185, 2014, A1, . Location in patent: Paragraph 00136
[3] Tetrahedron Asymmetry, 1994, vol. 5, # 12, p. 2535 - 2562
  • 2
  • [ 532-20-7 ]
  • [ 15384-34-6 ]
Reference: [1] Tetrahedron, 2008, vol. 64, # 42, p. 9989 - 9991
[2] Chemical Communications, 2017, vol. 53, # 75, p. 10362 - 10365
  • 3
  • [ 78138-87-1 ]
  • [ 15384-34-6 ]
Reference: [1] Patent: US4910310, 1990, A,
  • 4
  • [ 910881-68-4 ]
  • [ 15384-34-6 ]
Reference: [1] Journal of the American Chemical Society, 1946, vol. 68, p. 1509
  • 5
  • [ 67-56-1 ]
  • [ 78138-87-1 ]
  • [ 77-76-9 ]
  • [ 15384-34-6 ]
  • [ 286859-23-2 ]
Reference: [1] Organic and Biomolecular Chemistry, 2011, vol. 9, # 22, p. 7720 - 7726
  • 6
  • [ 526-92-1 ]
  • [ 15384-34-6 ]
Reference: [1] Chemische Berichte, 1897, vol. 30, p. 3107
[2] Chemische Berichte, 1896, vol. 29, p. 583
  • 7
  • [ 728879-26-3 ]
  • [ 15384-34-6 ]
Reference: [1] Canadian Journal of Chemistry, 1956, vol. 34, p. 693,699
  • 8
  • [ 32449-92-6 ]
  • [ 15384-34-6 ]
Reference: [1] Canadian Journal of Chemistry, 1956, vol. 34, p. 693,699
  • 9
  • [ 10257-28-0 ]
  • [ 15384-34-6 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1, 1989, # 3, p. 665 - 666
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