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[ CAS No. 51673-83-7 ] {[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 51673-83-7
Chemical Structure| 51673-83-7
Chemical Structure| 51673-83-7
Structure of 51673-83-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 51673-83-7 ]

CAS No. :51673-83-7 MDL No. :MFCD07779239
Formula : C6H10O3 Boiling Point : -
Linear Structure Formula :- InChI Key :MQAYFGXOFCEZRW-UHFFFAOYSA-N
M.W :130.14 Pubchem ID :10964532
Synonyms :

Calculated chemistry of [ 51673-83-7 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 31.7
TPSA : 46.53 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) : -6.7 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.87
Log Po/w (XLOGP3) : 0.55
Log Po/w (WLOGP) : 0.64
Log Po/w (MLOGP) : 0.0
Log Po/w (SILICOS-IT) : 0.78
Consensus Log Po/w : 0.57

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.93
Solubility : 15.4 mg/ml ; 0.118 mol/l
Class : Very soluble
Log S (Ali) : -1.1
Solubility : 10.4 mg/ml ; 0.0796 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.11
Solubility : 100.0 mg/ml ; 0.769 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.24

Safety of [ 51673-83-7 ]

Signal Word:Danger Class:8
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P310-P312-P321-P330-P332+P313-P362-P403+P233-P405-P501 UN#:3265
Hazard Statements:H302-H315-H318-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 51673-83-7 ]

* 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 [ 51673-83-7 ]
  • Downstream synthetic route of [ 51673-83-7 ]

[ 51673-83-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 186581-53-3 ]
  • [ 51673-83-7 ]
  • [ 84355-44-2 ]
Reference: [1] Bioscience, Biotechnology, and Biochemistry, 1994, vol. 58, # 10, p. 1879 - 1881
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