CAS RN: 51549-39-4
N6-BENZOYL-5′-O-TERT-BUTYLDIMETHYLSILYL-2′-DEOXYADENOSINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250903 | 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS51549-39-4
- Purity/Analytical Methods: >99.0%
51549-39-4 / N-[9-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
Basic Information
CAS
51549-39-4
Multi CAS
Yes
Molecular Formula
C23H31N5O4Si
Molecular Weight
469.600000
Exact Mass
469.214531
InChI
InChI=1S/C23H31N5O4Si/c1-23(2,3)33(4,5)31-12-17-16(29)11-18(32-17)28-14-26-19-20(24-13-25-21(19)28)27-22(30)15-9-7-6-8-10-15/h6-10,13-14,16-18,29H,11-12H2,1-5H3,(H,24,25,27,30)/t16-,17+,18+/m0/s1
InChIKey
BJZZQJFYKQPUGO-RCCFBDPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
15
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
127.4
TPSA
111.39
LogP / Solubility
WLOGP
3.75
MLOGP
3.33
XLogP3
3.75
Consensus LogP
3.61
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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