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CAS RN:
7075-11-8
ARA-CMP
Product Availability
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1 package records
1 with current stock
1 grade group
Grade
98% (1)
In stock only
Batch No.
Package
Availability
Warehouse
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Batchno.20250420
50mg
In stock
Shanghai, Shandong, Hebei
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Product code:
starshine_CAS7075-11-8
Purity/Analytical Methods:
>99.0%
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7075-11-8 / [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Standard CAS: 7075-11-8
Multi CAS: Yes
Basic Information
Computed Properties
Basic Information
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CAS
7075-11-8
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Multi CAS
Yes
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Molecular Formula
C9H14N3O8P
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Molecular Weight
323.200000
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Exact Mass
323.051851
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InChI
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1
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InChIKey
IERHLVCPSMICTF-CCXZUQQUSA-N
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Computed Properties
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Structural Parameters
Heavy atom count
21
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Aromatic heavy atom count
6
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Fraction Csp3
0.56
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Rotatable bonds
4
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H-bond acceptors
9
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H-bond donors
5
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Molar refractivity
66.83
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TPSA
177.36
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LogP / Solubility
WLOGP
-2.45
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MLOGP
-2.14
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XLogP3
-3.4
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Consensus LogP
-2.66
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Log S (ESOL)
-0.25
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Class (ESOL)
Very soluble
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Log S (Ali)
-0.44
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Class (Ali)
Very soluble
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Log S (SILICOS-IT)
-0.21
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Class (SILICOS-IT)
Very soluble
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ADME
GI absorption
Low
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BBB permeant
No
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P-gp substrate
No
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CYP1A2 inhibitor
No
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CYP2C19 inhibitor
No
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CYP2C9 inhibitor
No
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CYP2D6 inhibitor
No
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CYP3A4 inhibitor
No
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Log Kp (skin permeation)
-6.43
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Drug-likeness / Medicinal Chemistry
Lipinski
Yes
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Ghose
No
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Veber
No
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Egan
No
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Muegge
No
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Bioavailability score
0.55
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Brenk alerts
1
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Leadlikeness
Yes
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Synthetic Accessibility
4.5
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