CAS RN: 2306782-64-7

Guanosine, 8-methyl-2′-O-methyl-

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Batchno.20250905 5mg / 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2306782-64-7
  • Purity/Analytical Methods: >99.0%
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2306782-64-7 / 2-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-8-methyl-1H-purin-6-one

Standard CAS: 2306782-64-7 Multi CAS: No

Basic Information

CAS
2306782-64-7
Multi CAS
No
Molecular Formula
C12H17N5O5
Molecular Weight
311.290000
Exact Mass
311.122969
SMILES
CC1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC)N=C(NC2=O)N
InChI
InChI=1S/C12H17N5O5/c1-4-14-6-9(15-12(13)16-10(6)20)17(4)11-8(21-2)7(19)5(3-18)22-11/h5,7-8,11,18-19H,3H2,1-2H3,(H3,13,15,16,20)/t5-,7-,8-,11-/m1/s1
InChIKey
VKBDRYNPOJCCAX-IOSLPCCCSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
4
Molar refractivity
75.1
TPSA
148.51

LogP / Solubility

WLOGP
-1.72
MLOGP
-1.5
XLogP3
-1
Consensus LogP
-1.41
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
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)
-5.84

Drug-likeness / Medicinal Chemistry

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

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