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CAS 42204-44-4 5′-Azido-5′-deoxyguanosine molecular structure lightbox
CAS RN: 42204-44-4

5′-Azido-5′-deoxyguanosine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251126 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: LINA888643
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42204-44-4 / 2-amino-9-[(2R,3R,4S,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one

Standard CAS: 42204-44-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42204-44-4
Multi CAS
Yes
Molecular Formula
C10H12N8O4
Molecular Weight
308.250000
Exact Mass
308.098151
InChI
InChI=1S/C10H12N8O4/c11-10-15-7-4(8(21)16-10)13-2-18(7)9-6(20)5(19)3(22-9)1-14-17-12/h2-3,5-6,9,19-20H,1H2,(H3,11,15,16,21)/t3-,5-,6-,9-/m1/s1
InChIKey
IURRXTYHKBREQT-UUOKFMHZSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
4
Molar refractivity
72.5
TPSA
188.04

LogP / Solubility

WLOGP
-1.37
MLOGP
-1.19
XLogP3
-0.9
Consensus LogP
-1.15
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.89
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)
-5.57

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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