CAS RN: 69655-05-6

2′,3′-Dideoxyinosine

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14 package records11 with current stock2 grade groups
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Batchno.20260623 25g Out of stock Inquiry
Batchno.20251101 5g In stock Shanghai Inquiry
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Batchno.20260131 1g In stock Inquiry
Batchno.20260613 250mg In stock Inquiry
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  • Product code: ICTD3066
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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69655-05-6 / 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one

Standard CAS: 69655-05-6 Multi CAS: Yes

Basic Information

CAS
69655-05-6
Multi CAS
Yes
Molecular Formula
C10H12N4O3
Molecular Weight
236.230000
Exact Mass
236.090940
InChI
InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-8,15H,1-3H2/t6-,7+,8?/m0/s1
InChIKey
HKQSQLIIDRXGLH-KJFJCRTCSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
60.03
TPSA
86.85

LogP / Solubility

WLOGP
-0.84
MLOGP
-0.73
XLogP3
-1
Consensus LogP
-0.86
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble

ADME

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)
-4.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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