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CAS 2140-77-4 N2-Methylguanosine molecular structure lightbox
CAS RN: 2140-77-4

N2-Methylguanosine

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260611 25mg In stock Shanghai Inquiry
Batchno.20250927 5mg In stock Shanghai, Chongqing, Hebei Inquiry
  • Product code: LINN888579
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2140-77-4 / 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-1H-purin-6-one

Standard CAS: 2140-77-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2140-77-4
Multi CAS
No
Molecular Formula
C11H15N5O5
Molecular Weight
297.270000
Exact Mass
297.107319
SMILES
CNC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O5/c1-12-11-14-8-5(9(20)15-11)13-3-16(8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15,20)/t4-,6-,7-,10-/m1/s1
InChIKey
SLEHROROQDYRAW-KQYNXXCUSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
5
Molar refractivity
70.7
TPSA
145.52

LogP / Solubility

WLOGP
-2.23
MLOGP
-1.95
XLogP3
-1.5
Consensus LogP
-1.89
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
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)
-6.11

Drug-likeness / Medicinal Chemistry

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

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