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CAS 51549-40-7 Adenosine,N-benzoyl-2′-deoxy-3′-o-[(1,1-dimethylethyl)dimethylsilyl]- molecular structure lightbox
CAS RN: 51549-40-7

Adenosine,N-benzoyl-2′-deoxy-3′-o-[(1,1-dimethylethyl)dimethylsilyl]-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250606 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-158446
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 51549-40-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry

51549-40-7 / N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide

Standard CAS: 51549-40-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51549-40-7
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)32-16-11-18(31-17(16)12-29)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
JGELYOCTJSVMRL-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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