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[ CAS No. 87392-07-2 ] {[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| 87392-07-2
Chemical Structure| 87392-07-2
Structure of 87392-07-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 87392-07-2 ]

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Product Details of [ 87392-07-2 ]

CAS No. :87392-07-2 MDL No. :MFCD00272639
Formula : C5H8O3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :UJJLJRQIPMGXEZ-BYPYZUCNSA-N
M.W : 116.12 Pubchem ID :446666
Synonyms :

Calculated chemistry of [ 87392-07-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 26.89
TPSA : 46.53 ?2

Pharmacokinetics

GI absorption : High
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) : -6.87 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.04
Log Po/w (XLOGP3) : 0.2
Log Po/w (WLOGP) : 0.25
Log Po/w (MLOGP) : -0.38
Log Po/w (SILICOS-IT) : 0.54
Consensus Log Po/w : 0.33

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -0.62
Solubility : 27.9 mg/ml ; 0.24 mol/l
Class : Very soluble
Log S (Ali) : -0.74
Solubility : 21.3 mg/ml ; 0.184 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.18
Solubility : 177.0 mg/ml ; 1.52 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.06

Safety of [ 87392-07-2 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405 UN#:3265
Hazard Statements:H302-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 87392-07-2 ]

* 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.

  • Downstream synthetic route of [ 87392-07-2 ]

[ 87392-07-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 16874-34-3 ]
  • [ 87392-07-2 ]
  • [ 87392-05-0 ]
  • ethyl (S)-tetrahydrofuran-2-carboxylate [ No CAS ]
  • ethyl (R)-tetrahydrofuran-2-carboxylate [ No CAS ]
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