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[ CAS No. 10356-76-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 10356-76-0
Chemical Structure| 10356-76-0
Structure of 10356-76-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 10356-76-0 ]

CAS No. :10356-76-0 MDL No. :MFCD00077348
Formula : C9H12FN3O4 Boiling Point : -
Linear Structure Formula :- InChI Key :IDYKCXHJJGMAEV-RRKCRQDMSA-N
M.W : 245.21 Pubchem ID :515328
Synonyms :
2'-Deoxy-5-Fluorocytidine;FCdR;FdCyd;Ro-5-1090;NSC-48006;5-fluoro-2(')-deoxycytidine

Calculated chemistry of [ 10356-76-0 ]

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.56
Num. rotatable bonds : 2
Num. H-bond acceptors : 6.0
Num. H-bond donors : 3.0
Molar Refractivity : 54.64
TPSA : 110.6 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) : -8.87 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.79
Log Po/w (XLOGP3) : -1.51
Log Po/w (WLOGP) : -1.29
Log Po/w (MLOGP) : -1.08
Log Po/w (SILICOS-IT) : -0.94
Consensus Log Po/w : -0.81

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.54
Solubility : 71.0 mg/ml ; 0.29 mol/l
Class : Very soluble
Log S (Ali) : -0.31
Solubility : 121.0 mg/ml ; 0.493 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.07
Solubility : 207.0 mg/ml ; 0.843 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.69

Safety of [ 10356-76-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 10356-76-0 ]

* 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 [ 10356-76-0 ]
  • Downstream synthetic route of [ 10356-76-0 ]

[ 10356-76-0 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 92574-68-0 ]
  • [ 10356-76-0 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1984, vol. 32, # 4, p. 1441 - 1450
  • 2
  • [ 161179-94-8 ]
  • [ 10356-76-0 ]
Reference: [1] Journal of Organic Chemistry, 1992, vol. 57, # 11, p. 2989 - 2991
[2] Journal of Organic Chemistry, 1992, vol. 57, # 11, p. 2989 - 2991
  • 3
  • [ 110522-47-9 ]
  • [ 10356-76-0 ]
Reference: [1] Journal of Organic Chemistry, 1992, vol. 57, # 11, p. 2989 - 2991
[2] Journal of Organic Chemistry, 1992, vol. 57, # 11, p. 2989 - 2991
  • 4
  • [ 50-91-9 ]
  • [ 10356-76-0 ]
Reference: [1] Journal of Organic Chemistry, 1992, vol. 57, # 11, p. 2989 - 2991
[2] Journal of Organic Chemistry, 1992, vol. 57, # 11, p. 2989 - 2991
  • 5
  • [ 51255-12-0 ]
  • [ 10356-76-0 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1984, vol. 32, # 4, p. 1441 - 1450
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