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CAS 135023-21-1 2′-O-Methyl-N2-methylguanosine molecular structure lightbox
CAS RN: 135023-21-1

2′-O-Methyl-N2-methylguanosine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250225 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS135023-21-1
  • Purity/Analytical Methods: >99.0%
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135023-21-1 / 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2-(methylamino)-1H-purin-6-one

Standard CAS: 135023-21-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135023-21-1
Multi CAS
No
Molecular Formula
C12H17N5O5
Molecular Weight
311.290000
Exact Mass
311.122969
SMILES
CNC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC
InChI
InChI=1S/C12H17N5O5/c1-13-12-15-9-6(10(20)16-12)14-4-17(9)11-8(21-2)7(19)5(3-18)22-11/h4-5,7-8,11,18-19H,3H2,1-2H3,(H2,13,15,16,20)/t5-,7-,8-,11-/m1/s1
InChIKey
OJTAZBNWKTYVFJ-IOSLPCCCSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.58
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
4
Molar refractivity
75.5
TPSA
134.52

LogP / Solubility

WLOGP
-1.57
MLOGP
-1.37
XLogP3
-1
Consensus LogP
-1.31
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-5.74

Drug-likeness / Medicinal Chemistry

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

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