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CAS 3616-24-8 2-AMINO-9-(BETA-D-2-DEOXYRIBOFURANOSYL)PURINE molecular structure lightbox
CAS RN: 3616-24-8

2-AMINO-9-(BETA-D-2-DEOXYRIBOFURANOSYL)PURINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260102 25mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS3616-24-8
  • Purity/Analytical Methods: >99.0%
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3616-24-8 / (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

Standard CAS: 3616-24-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3616-24-8
Multi CAS
Yes
Molecular Formula
C10H13N5O3
Molecular Weight
251.240000
Exact Mass
251.101839
InChI
InChI=1S/C10H13N5O3/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2,(H2,11,12,14)/t6-,7+,8+/m0/s1
InChIKey
KGCFUCMAUQBXMT-XLPZGREQSA-N

Physical Properties

Melting Point
189 °C
Physical Description
White odorless crystals; Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
3
Molar refractivity
61.36
TPSA
119.31

LogP / Solubility

WLOGP
-0.95
MLOGP
-0.83
XLogP3
-0.5
Consensus LogP
-0.76
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
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)
-4.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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