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CAS 545374-76-3 2′-o-methoxyethyl inosine molecular structure lightbox
CAS RN: 545374-76-3

2′-o-methoxyethyl inosine

  • Product code: SSC-162236
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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 545374-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

545374-76-3 / 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-1H-purin-6-one

Standard CAS: 545374-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
545374-76-3
Multi CAS
No
Molecular Formula
C13H18N4O6
Molecular Weight
326.310000
Exact Mass
326.122634
InChI
InChI=1S/C13H18N4O6/c1-21-2-3-22-10-9(19)7(4-18)23-13(10)17-6-16-8-11(17)14-5-15-12(8)20/h5-7,9-10,13,18-19H,2-4H2,1H3,(H,14,15,20)/t7-,9-,10-,13-/m1/s1
InChIKey
YVCRYUJBJVEBAK-QYVSTXNMSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
3
Molar refractivity
76.77
TPSA
131.72

LogP / Solubility

WLOGP
-1.6
MLOGP
-1.39
XLogP3
-0.9
Consensus LogP
-1.3
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
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)
-5.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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