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CAS 58699-61-9 2′-Azido-2′-deoxyadenosine molecular structure lightbox
CAS RN: 58699-61-9

2′-Azido-2′-deoxyadenosine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250607 10mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: LINA929435
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58699-61-9 / 5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol

Standard CAS: 58699-61-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58699-61-9
Multi CAS
Yes
Molecular Formula
C10H12N8O3
Molecular Weight
292.250000
Exact Mass
292.103236
InChI
InChI=1S/C10H12N8O3/c11-8-6-9(14-2-13-8)18(3-15-6)10-5(16-17-12)7(20)4(1-19)21-10/h2-5,7,10,19-20H,1H2,(H2,11,13,14)
InChIKey
IFVJLCHSLGMHEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
3
Molar refractivity
69.67
TPSA
168.07

LogP / Solubility

WLOGP
-0.66
MLOGP
-0.57
XLogP3
-0.2
Consensus LogP
-0.48
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-4.97

Drug-likeness / Medicinal Chemistry

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

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