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[ CAS No. 3424-98-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 3424-98-4
Chemical Structure| 3424-98-4
Structure of 3424-98-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 3424-98-4 ]

CAS No. :3424-98-4 MDL No. :MFCD02683612
Formula : C10H14N2O5 Boiling Point : -
Linear Structure Formula :- InChI Key :IQFYYKKMVGJFEH-CSMHCCOUSA-N
M.W : 242.23 Pubchem ID :159269
Synonyms :
NV 02B;Epavudine;Tyzeka;LDT 600;β-L-Thymidine;L-Deoxythymidine;2'-deoxy-L-Thymidine;L-Thymidine

Calculated chemistry of [ 3424-98-4 ]

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.6
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 58.07
TPSA : 104.55 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) : -8.61 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.12
Log Po/w (XLOGP3) : -1.17
Log Po/w (WLOGP) : -1.84
Log Po/w (MLOGP) : -1.15
Log Po/w (SILICOS-IT) : -0.04
Consensus Log Po/w : -0.61

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.73
Solubility : 44.7 mg/ml ; 0.185 mol/l
Class : Very soluble
Log S (Ali) : -0.53
Solubility : 71.1 mg/ml ; 0.293 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.45
Solubility : 86.3 mg/ml ; 0.356 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.64

Safety of [ 3424-98-4 ]

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