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[ CAS No. 10526-80-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 10526-80-4
Chemical Structure| 10526-80-4
Structure of 10526-80-4 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 10526-80-4 ]

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Product Details of [ 10526-80-4 ]

CAS No. :10526-80-4 MDL No. :MFCD00036375
Formula : C9H18NO6P Boiling Point : -
Linear Structure Formula :- InChI Key :VHFCNZDHPABZJO-UHFFFAOYSA-N
M.W : 267.22 Pubchem ID :82702
Synonyms :

Calculated chemistry of [ 10526-80-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 3
Num. H-bond acceptors : 7.0
Num. H-bond donors : 4.0
Molar Refractivity : 61.45
TPSA : 139.89 Ų

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) : -9.53 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.03
Log Po/w (XLOGP3) : -2.26
Log Po/w (WLOGP) : 0.97
Log Po/w (MLOGP) : -0.87
Log Po/w (SILICOS-IT) : 1.36
Consensus Log Po/w : 0.05

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.13
Solubility : 356.0 mg/ml ; 1.33 mol/l
Class : Highly soluble
Log S (Ali) : -0.14
Solubility : 192.0 mg/ml ; 0.718 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.88
Solubility : 35.5 mg/ml ; 0.133 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.3

Safety of [ 10526-80-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H317-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 10526-80-4 ]

* 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 [ 10526-80-4 ]

[ 10526-80-4 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 67-56-1 ]
  • [ 10526-80-4 ]
  • P-Monomethyl-phospho-enol-brenztraubensaeureester [ No CAS ]
  • 2
  • [ 10526-80-4 ]
  • [ 108-91-8 ]
  • Phosphoenol-brenztraubensaeure-monocyclohexylphosphoramidat [ No CAS ]
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