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CAS 15763-06-1 1-METHYLADENOSINE molecular structure lightbox
CAS RN: 15763-06-1

1-METHYLADENOSINE

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251115 50mg / 250mg / 1g Confirm by inquiry Shanghai, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250427 100mg Out of stock Inquiry
Batchno.20250315 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250131 250mg Out of stock Inquiry
Batchno.20250829 50mg Out of stock Inquiry
  • Product code: starshine_CAS15763-06-1
  • Purity/Analytical Methods: >99.0%
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15763-06-1 / (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol

Standard CAS: 15763-06-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
15763-06-1
Multi CAS
No
Molecular Formula
C11H15N5O4
Molecular Weight
281.270000
Exact Mass
281.112404
SMILES
CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1
InChIKey
GFYLSDSUCHVORB-IOSLPCCCSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
4
Molar refractivity
65.36
TPSA
129.41

LogP / Solubility

WLOGP
-2.14
MLOGP
-1.87
XLogP3
-1
Consensus LogP
-1.67
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.05
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)
-5.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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