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CAS 828247-65-0 N-Acetyl-3′,5′-O-(1,1,3,3-tetraisopropyl-1,3-disiloxanediyl)adenosine molecular structure lightbox
CAS RN: 828247-65-0

N-Acetyl-3′,5′-O-(1,1,3,3-tetraisopropyl-1,3-disiloxanediyl)adenosine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251106 25mg / 100mg Out of stock 15 business days Inquiry
  • Product code: LINN929672
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828247-65-0 / N-[9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]acetamide

Standard CAS: 828247-65-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
828247-65-0
Multi CAS
Yes
Molecular Formula
C24H41N5O6Si2
Molecular Weight
551.800000
Exact Mass
551.259537
InChI
InChI=1S/C24H41N5O6Si2/c1-13(2)36(14(3)4)32-10-18-21(34-37(35-36,15(5)6)16(7)8)20(31)24(33-18)29-12-27-19-22(28-17(9)30)25-11-26-23(19)29/h11-16,18,20-21,24,31H,10H2,1-9H3,(H,25,26,28,30)/t18-,20-,21-,24-/m1/s1
InChIKey
ZULOPXIJTCCZDJ-UMCMBGNQSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
2
Molar refractivity
143.35
TPSA
129.85

LogP / Solubility

WLOGP
4
MLOGP
3.56
XLogP3
4
Consensus LogP
3.85
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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