CAS RN: 100644-70-0
8-AZA-7-DEAZA-2′-DEOXYGUANOSINE
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260611 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250512 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260206 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250927 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260518 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250729 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS100644-70-0
- Purity/Analytical Methods: >99.0%
100644-70-0 / 6-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
8-Aza-7-deaza-2'-deoxyguanosine | 6-AMINO-1-[(2R,4S,5R)-4-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE | 6-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
Basic Information
CAS
100644-70-0
Multi CAS
Yes
Molecular Formula
C10H13N5O4
Molecular Weight
267.240000
Exact Mass
267.096754
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=C(C=N2)C(=O)NC(=N3)N)CO)O
InChI
InChI=1S/C10H13N5O4/c11-10-13-8-4(9(18)14-10)2-12-15(8)7-1-5(17)6(3-16)19-7/h2,5-7,16-17H,1,3H2,(H3,11,13,14,18)/t5-,6+,7+/m0/s1
InChIKey
DLLZQBWJRMFLAD-RRKCRQDMSA-N
Synonyms
8-Aza-7-deaza-2'-deoxyguanosine
6-AMINO-1-[(2R,4S,5R)-4-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
6-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
SCHEMBL23786492
8-Aza-7-deaza-2 inverted exclamation mark -deoxyguanosine
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
64.18
TPSA
139.28
LogP / Solubility
WLOGP
-1.66
MLOGP
-1.45
XLogP3
-1.9
Consensus LogP
-1.67
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
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)
-5.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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