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CAS 2504-55-4 3′-AMINO-D-ADENOSINE molecular structure lightbox
CAS RN: 2504-55-4

3′-AMINO-D-ADENOSINE

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6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260510 100mg Out of stock Inquiry
Batchno.20260114 1g Out of stock Inquiry
Batchno.20250608 250mg Out of stock Inquiry
Batchno.20250509 25mg In stock Shanghai Inquiry
Batchno.20250707 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250818 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: LINA888633
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2504-55-4 / (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol

Standard CAS: 2504-55-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2504-55-4
Multi CAS
No
Molecular Formula
C10H14N6O3
Molecular Weight
266.260000
Exact Mass
266.112738
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O)N
InChI
InChI=1S/C10H14N6O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
InChIKey
ILDPUOKUEKVHIL-QYYRPYCUSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
4
Molar refractivity
64.71
TPSA
145.33

LogP / Solubility

WLOGP
-2.01
MLOGP
-1.76
XLogP3
-1.3
Consensus LogP
-1.69
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.29
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.04
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)
-5.77

Drug-likeness / Medicinal Chemistry

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

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