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CAS 433288-71-2 2-Amino-2′-O-(2-methoxy-2-oxoethyl)adenosine molecular structure lightbox
CAS RN: 433288-71-2

2-Amino-2′-O-(2-methoxy-2-oxoethyl)adenosine

  • Product code: SSC-151588
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 433288-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

433288-71-2 / methyl 2-[(2R,3R,4R,5R)-2-(2,6-diaminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxyacetate

Standard CAS: 433288-71-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
433288-71-2
Multi CAS
Yes
Molecular Formula
C13H18N6O6
Molecular Weight
354.320000
Exact Mass
354.128782
InChI
InChI=1S/C13H18N6O6/c1-23-6(21)3-24-9-8(22)5(2-20)25-12(9)19-4-16-7-10(14)17-13(15)18-11(7)19/h4-5,8-9,12,20,22H,2-3H2,1H3,(H4,14,15,17,18)/t5-,8-,9-,12-/m1/s1
InChIKey
GDVCYWYDGOXLMV-JJNLEZRASA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
4
Molar refractivity
82.91
TPSA
180.86

LogP / Solubility

WLOGP
-2.2
MLOGP
-1.92
XLogP3
-1
Consensus LogP
-1.71
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
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)
-6.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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