CAS RN: 55727-10-1

7-METHYL-6-THIOGUANOSINE

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3 package records1 with current stock3 grade groups
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Batchno.20251204 1mg In stock Shanghai, Shandong, Guangdong Inquiry
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  • Product code: starshine_CAS55727-10-1
  • Purity/Analytical Methods: >99.0%
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55727-10-1 / (2R,3R,4S,5R)-2-(2-amino-7-methyl-6-sulfanylidene-3H-purin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-olate

Standard CAS: 55727-10-1 Multi CAS: Yes

Basic Information

CAS
55727-10-1
Multi CAS
Yes
Molecular Formula
C11H15N5O4S
Molecular Weight
313.340000
Exact Mass
313.084475
InChI
InChI=1S/C11H15N5O4S/c1-15-3-16(8-5(15)9(21)14-11(12)13-8)10-7(19)6(18)4(2-17)20-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,21)/t4-,6-,7-,10-/m1/s1
InChIKey
RFHIWBUKNJIBSE-KQYNXXCUSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
71.3
TPSA
136.26

LogP / Solubility

WLOGP
-2.52
MLOGP
-2.2
XLogP3
-0.9
Consensus LogP
-1.87
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.15
Class (SILICOS-IT)
Highly 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)
-6.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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