CAS RN: 714249-80-6

2′-C-methyl-6-O-methyl-guanosine

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Batchno.20250730 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS714249-80-6
  • Purity/Analytical Methods: >99.0%
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714249-80-6 / (2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

Standard CAS: 714249-80-6 Multi CAS: Yes

Basic Information

CAS
714249-80-6
Multi CAS
Yes
Molecular Formula
C12H17N5O5
Molecular Weight
311.290000
Exact Mass
311.122969
InChI
InChI=1S/C12H17N5O5/c1-12(20)7(19)5(3-18)22-10(12)17-4-14-6-8(17)15-11(13)16-9(6)21-2/h4-5,7,10,18-20H,3H2,1-2H3,(H2,13,15,16)/t5-,7-,10-,12-/m1/s1
InChIKey
OAIGYKVLSKBAJZ-GSWPYSDESA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
4
Molar refractivity
73.91
TPSA
148.77

LogP / Solubility

WLOGP
-1.58
MLOGP
-1.38
XLogP3
-0.7
Consensus LogP
-1.22
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
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
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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