Home Cart 0 Sign in  

[ CAS No. 4105-38-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 4105-38-8
Chemical Structure| 4105-38-8
Structure of 4105-38-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 4105-38-8 ]

Related Doc. of [ 4105-38-8 ]

Alternatived Products of [ 4105-38-8 ]

Product Details of [ 4105-38-8 ]

CAS No. :4105-38-8 MDL No. :MFCD00023795
Formula : C15H18N2O9 Boiling Point : -
Linear Structure Formula :- InChI Key :AUFUWRKPQLGTGF-FMKGYKFTSA-N
M.W : 370.31 Pubchem ID :20058
Synonyms :
2',3',5'-Tri-O-acetyluridine;Tri-O-acetyl uridine;Xuriden;Vistonuridine;Vistogard;Triacetyluridine;RG2133;PN401;2',3',5'-Triacetyluridine

Calculated chemistry of [ 4105-38-8 ]

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.53
Num. rotatable bonds : 8
Num. H-bond acceptors : 9.0
Num. H-bond donors : 1.0
Molar Refractivity : 83.48
TPSA : 142.99 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) : -8.9 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.45
Log Po/w (XLOGP3) : -0.48
Log Po/w (WLOGP) : -1.46
Log Po/w (MLOGP) : -0.69
Log Po/w (SILICOS-IT) : -0.07
Consensus Log Po/w : -0.25

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.48
Solubility : 12.4 mg/ml ; 0.0334 mol/l
Class : Very soluble
Log S (Ali) : -2.06
Solubility : 3.26 mg/ml ; 0.00879 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.15
Solubility : 26.2 mg/ml ; 0.0708 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.42

Safety of [ 4105-38-8 ]

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 [ 4105-38-8 ]

* 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 [ 4105-38-8 ]
  • Downstream synthetic route of [ 4105-38-8 ]

[ 4105-38-8 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 4105-38-8 ]
  • [ 2880-89-9 ]
Reference: [1] Journal of Organic Chemistry, 1990, vol. 55, # 16, p. 4928 - 4933
[2] Chemical Communications, 2012, vol. 48, # 45, p. 5587 - 5589
[3] European Journal of Medicinal Chemistry, 2013, vol. 65, p. 249 - 255
  • 2
  • [ 4105-38-8 ]
  • [ 957-75-5 ]
Reference: [1] Journal of Organic Chemistry, 1990, vol. 55, # 16, p. 4928 - 4933
  • 3
  • [ 4105-38-8 ]
  • [ 1024-99-3 ]
Reference: [1] Journal of Organic Chemistry, 1990, vol. 55, # 16, p. 4928 - 4933
[2] Antiviral Research, 2012, vol. 94, # 1, p. 35 - 43
[3] Organic Preparations and Procedures International, 2018, vol. 50, # 3, p. 332 - 342
  • 4
  • [ 4105-38-8 ]
  • [ 2341-22-2 ]
Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1989, vol. 331, # 5, p. 835 - 842
  • 5
  • [ 4105-38-8 ]
  • [ 69075-42-9 ]
Reference: [1] Chemical Communications, 2013, vol. 49, # 30, p. 3128 - 3130
  • 6
  • [ 4105-38-8 ]
  • [ 20724-73-6 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1988, vol. 36, # 3, p. 945 - 953
Same Skeleton Products
Historical Records