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[ CAS No. 3174-74-1 ] {[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+
3d Animation Molecule Structure of 3174-74-1
Chemical Structure| 3174-74-1
Chemical Structure| 3174-74-1
Structure of 3174-74-1 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 3174-74-1 ]

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Alternatived Products of [ 3174-74-1 ]

Product Details of [ 3174-74-1 ]

CAS No. :3174-74-1 MDL No. :MFCD17171194
Formula : C5H8O Boiling Point : -
Linear Structure Formula :- InChI Key :MUGSKSNNEORSJG-UHFFFAOYSA-N
M.W : 84.12 Pubchem ID :520540
Synonyms :

Calculated chemistry of [ 3174-74-1 ]

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.6
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 24.65
TPSA : 9.23 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) : -6.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.68
Log Po/w (XLOGP3) : 0.77
Log Po/w (WLOGP) : 0.96
Log Po/w (MLOGP) : 0.62
Log Po/w (SILICOS-IT) : 1.66
Consensus Log Po/w : 1.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.85
Solubility : 12.0 mg/ml ; 0.142 mol/l
Class : Very soluble
Log S (Ali) : -0.54
Solubility : 24.0 mg/ml ; 0.286 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.43
Solubility : 31.3 mg/ml ; 0.372 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.57

Safety of [ 3174-74-1 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P233-P235-P240-P241-P242-P243-P260-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P370+P378-P403-P403+P233-P403+P235-P405-P501 UN#:1993
Hazard Statements:H225-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 3174-74-1 ]

* 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 [ 3174-74-1 ]
  • Downstream synthetic route of [ 3174-74-1 ]

[ 3174-74-1 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 3174-74-1 ]
  • [ 107-19-7 ]
  • [ 6089-04-9 ]
Reference: [1] Journal of Organometallic Chemistry, 1987, vol. 328, # 1-2, p. 223 - 227
  • 2
  • [ 50-00-0 ]
  • [ 187737-37-7 ]
  • [ 2081-44-9 ]
  • [ 3174-74-1 ]
  • [ 627-27-0 ]
  • [ 123-72-8 ]
Reference: [1] ChemCatChem, 2017, vol. 9, # 23, p. 4417 - 4425
  • 3
  • [ 50-00-0 ]
  • [ 187737-37-7 ]
  • [ 1120-97-4 ]
  • [ 2081-44-9 ]
  • [ 3174-74-1 ]
  • [ 627-27-0 ]
  • [ 123-72-8 ]
Reference: [1] ChemCatChem, 2017, vol. 9, # 23, p. 4417 - 4425
  • 4
  • [ 3174-74-1 ]
  • [ 1240390-32-2 ]
Reference: [1] Patent: WO2013/78468, 2013, A1,
  • 5
  • [ 3174-74-1 ]
  • [ 1240390-36-6 ]
Reference: [1] Patent: WO2013/78468, 2013, A1,
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[ 3174-74-1 ]

Pyrans

Chemical Structure| 17327-22-9

[ 17327-22-9 ]

4-Methoxy-3,6-dihydro-2H-pyran

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