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CAS 256224-03-0 3′-O-(2-Methoxyethyl)guanosine molecular structure lightbox
CAS RN: 256224-03-0

3′-O-(2-Methoxyethyl)guanosine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260429 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS256224-03-0
  • Purity/Analytical Methods: >99.0%
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256224-03-0 / 2-amino-9-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-2-yl]-1H-purin-6-one

Standard CAS: 256224-03-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
256224-03-0
Multi CAS
No
Molecular Formula
C13H19N5O6
Molecular Weight
341.320000
Exact Mass
341.133533
SMILES
COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=C(NC3=O)N)CO
InChI
InChI=1S/C13H19N5O6/c1-22-2-3-23-9-6(4-19)24-12(8(9)20)18-5-15-7-10(18)16-13(14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3,14,16,17,21)/t6-,8-,9-,12-/m1/s1
InChIKey
BPFOZTYDUWLNNN-WOUKDFQISA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
4
Molar refractivity
81.18
TPSA
157.74

LogP / Solubility

WLOGP
-2.02
MLOGP
-1.76
XLogP3
-2.1
Consensus LogP
-1.96
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
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)
-6.23

Drug-likeness / Medicinal Chemistry

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

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