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CAS 134444-47-6 2-Amino-2′-deoxy-2′-fluoro-D-adenosine molecular structure lightbox
CAS RN: 134444-47-6

2-Amino-2′-deoxy-2′-fluoro-D-adenosine

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260202 1g In stock Inquiry
Batchno.20251115 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251220 250mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS134444-47-6
  • Purity/Analytical Methods: >99.0%
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134444-47-6 / (2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

Standard CAS: 134444-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134444-47-6
Multi CAS
No
Molecular Formula
C10H13FN6O3
Molecular Weight
284.250000
Exact Mass
284.103316
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N)N
InChI
InChI=1S/C10H13FN6O3/c11-4-6(19)3(1-18)20-9(4)17-2-14-5-7(12)15-10(13)16-8(5)17/h2-4,6,9,18-19H,1H2,(H4,12,13,15,16)/t3-,4-,6-,9-/m1/s1
InChIKey
MHWHYOFBOWTAHZ-DXTOWSMRSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
4
Molar refractivity
66.05
TPSA
145.33

LogP / Solubility

WLOGP
-1.42
MLOGP
-1.24
XLogP3
-0.4
Consensus LogP
-1.02
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
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)
-5.46

Drug-likeness / Medicinal Chemistry

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

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