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[ CAS No. 763-32-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 763-32-6
Chemical Structure| 763-32-6
Structure of 763-32-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 763-32-6 ]

CAS No. :763-32-6 MDL No. :MFCD00002933
Formula : C5H10O Boiling Point : -
Linear Structure Formula :- InChI Key :CPJRRXSHAYUTGL-UHFFFAOYSA-N
M.W : 86.13 Pubchem ID :12988
Synonyms :

Calculated chemistry of [ 763-32-6 ]

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.6
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 26.84
TPSA : 20.23 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) : -5.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.66
Log Po/w (XLOGP3) : 1.27
Log Po/w (WLOGP) : 0.94
Log Po/w (MLOGP) : 1.01
Log Po/w (SILICOS-IT) : 0.69
Consensus Log Po/w : 1.11

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.04
Solubility : 7.82 mg/ml ; 0.0908 mol/l
Class : Very soluble
Log S (Ali) : -1.29
Solubility : 4.38 mg/ml ; 0.0508 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.84
Solubility : 12.4 mg/ml ; 0.144 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.43

Safety of [ 763-32-6 ]

Signal Word:Danger Class:3,8
Precautionary Statements:P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P305+P351+P338+P310-P370+P378-P403+P235-P501 UN#:2924
Hazard Statements:H226-H318 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 763-32-6 ]

* 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 [ 763-32-6 ]
  • Downstream synthetic route of [ 763-32-6 ]

[ 763-32-6 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 766-15-4 ]
  • [ 16302-35-5 ]
  • [ 763-32-6 ]
  • [ 2568-33-4 ]
  • [ 7525-64-6 ]
  • [ 115-18-4 ]
  • [ 556-82-1 ]
Reference: [1] J. Appl. Chem. USSR (Engl. Transl.), 1983, vol. 56, # 2, p. 316 - 319[2] Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), 1983, vol. 56, # 2, p. 333 - 337
  • 2
  • [ 763-32-6 ]
  • [ 61266-71-5 ]
Reference: [1] Tetrahedron, 1982, vol. 38, # 14, p. 2139 - 2146
  • 3
  • [ 60-35-5 ]
  • [ 763-32-6 ]
  • [ 201230-82-2 ]
  • [ 99-15-0 ]
Reference: [1] Journal of Organometallic Chemistry, 1985, vol. 279, p. 203 - 214
[2] Tetrahedron Letters, 1982, vol. 23, # 24, p. 2491 - 2494
  • 4
  • [ 763-32-6 ]
  • [ 39495-82-4 ]
Reference: [1] Patent: US2012/253062, 2012, A1,
  • 5
  • [ 763-32-6 ]
  • [ 42272-93-5 ]
  • [ 39495-82-4 ]
Reference: [1] Patent: US2012/253062, 2012, A1,
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