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[ CAS No. 16373-93-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 16373-93-6
Chemical Structure| 16373-93-6
Structure of 16373-93-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 16373-93-6 ]

CAS No. :16373-93-6 MDL No. :MFCD00149364
Formula : C10H15N5O4 Boiling Point : -
Linear Structure Formula :- InChI Key :WZJWHIMNXWKNTO-VWZUFWLJSA-N
M.W : 269.26 Pubchem ID :9549172
Synonyms :
2′-Deoxyadenosine (hydrate)
Chemical Name :(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol hydrate

Calculated chemistry of [ 16373-93-6 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.5
Num. rotatable bonds : 2
Num. H-bond acceptors : 7.0
Num. H-bond donors : 4.0
Molar Refractivity : 64.56
TPSA : 128.54 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) : -8.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.06
Log Po/w (XLOGP3) : -1.02
Log Po/w (WLOGP) : -1.33
Log Po/w (MLOGP) : -2.32
Log Po/w (SILICOS-IT) : -1.48
Consensus Log Po/w : -1.02

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.09
Solubility : 22.1 mg/ml ; 0.0822 mol/l
Class : Very soluble
Log S (Ali) : -1.19
Solubility : 17.3 mg/ml ; 0.0643 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.4
Solubility : 107.0 mg/ml ; 0.398 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.71

Safety of [ 16373-93-6 ]

Signal Word:Warning Class:
Precautionary Statements:P301+P312 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 16373-93-6 ]

* 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.

  • Downstream synthetic route of [ 16373-93-6 ]

[ 16373-93-6 ] Synthesis Path-Downstream   1~1

  • 1
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