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[ CAS No. 312693-72-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 312693-72-4
Chemical Structure| 312693-72-4
Structure of 312693-72-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 312693-72-4 ]

CAS No. :312693-72-4 MDL No. :MFCD00150760
Formula : C10H15N5O5 Boiling Point : -
Linear Structure Formula :- InChI Key :LZSCQUCOIRGCEJ-FPKZOZHISA-N
M.W : 285.26 Pubchem ID :135445705
Synonyms :
2'-Deoxyguanosine (hydrate);Guanine deoxyriboside

Calculated chemistry of [ 312693-72-4 ]

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.5
Num. rotatable bonds : 2
Num. H-bond acceptors : 7.0
Num. H-bond donors : 5.0
Molar Refractivity : 67.39
TPSA : 148.51 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) : -9.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.2
Log Po/w (XLOGP3) : -1.61
Log Po/w (WLOGP) : -2.04
Log Po/w (MLOGP) : -2.36
Log Po/w (SILICOS-IT) : -1.33
Consensus Log Po/w : -1.43

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.8
Solubility : 45.7 mg/ml ; 0.16 mol/l
Class : Very soluble
Log S (Ali) : -1.0
Solubility : 28.6 mg/ml ; 0.1 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.3
Solubility : 142.0 mg/ml ; 0.497 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 312693-72-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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