CAS RN: 303197-30-0

3′-O-(2-Methoxyethyl)adenosine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 100mg / 250mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS303197-30-0
  • Purity/Analytical Methods: >99.0%
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303197-30-0 / (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-3-ol

Standard CAS: 303197-30-0 Multi CAS: Yes

Basic Information

CAS
303197-30-0
Multi CAS
Yes
Molecular Formula
C13H19N5O5
Molecular Weight
325.320000
Exact Mass
325.138619
InChI
InChI=1S/C13H19N5O5/c1-21-2-3-22-10-7(4-19)23-13(9(10)20)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
InChIKey
RHVMAYVXDAXYHR-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
10
H-bond donors
3
Molar refractivity
78.35
TPSA
137.77

LogP / Solubility

WLOGP
-1.31
MLOGP
-1.14
XLogP3
-1.2
Consensus LogP
-1.22
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-5.63

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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