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[ CAS No. 73-03-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 73-03-0
Chemical Structure| 73-03-0
Structure of 73-03-0 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 73-03-0 ]

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Alternatived Products of [ 73-03-0 ]

Product Details of [ 73-03-0 ]

CAS No. :73-03-0 MDL No. :
Formula : C10H13N5O3 Boiling Point : -
Linear Structure Formula :- InChI Key :OFEZSBMBBKLLBJ-BAJZRUMYSA-N
M.W : 251.24 Pubchem ID :6303
Synonyms :
3'-Deoxyadenosine;NSC 63984;9(3DeoxyDribofuranosyl)adenine;3Deoxyadenosine;NSC 401022

Calculated chemistry of [ 73-03-0 ]

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.5
Num. rotatable bonds : 2
Num. H-bond acceptors : 6.0
Num. H-bond donors : 3.0
Molar Refractivity : 61.51
TPSA : 119.31 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) : -8.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.07
Log Po/w (XLOGP3) : -0.61
Log Po/w (WLOGP) : -1.27
Log Po/w (MLOGP) : -1.94
Log Po/w (SILICOS-IT) : -1.48
Consensus Log Po/w : -0.85

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.25
Solubility : 14.1 mg/ml ; 0.0561 mol/l
Class : Very soluble
Log S (Ali) : -1.42
Solubility : 9.47 mg/ml ; 0.0377 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.4
Solubility : 100.0 mg/ml ; 0.398 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.67

Safety of [ 73-03-0 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 73-03-0 ]

* 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 [ 73-03-0 ]
  • Downstream synthetic route of [ 73-03-0 ]

[ 73-03-0 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 161001-78-1 ]
  • [ 100-27-6 ]
  • [ 73-03-0 ]
Reference: [1] Helvetica Chimica Acta, 1994, vol. 77, # 5, p. 1267 - 1280
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