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CAS 4546-55-8 N6-Benzoyladenosine molecular structure lightbox
CAS RN: 4546-55-8

N6-Benzoyladenosine

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251002 100g In stock Inquiry
Batchno.20251218 1g In stock Inquiry
Batchno.20250705 25g In stock Inquiry
Batchno.20260611 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Hebei, Chongqing Inquiry
  • Product code: SSC-153183
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 1g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4546-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Beijing Inquiry
100g >97% 5 In Stock Beijing Inquiry
1g >97% 4 In Stock Shenzhen Inquiry
500g >97% 3 In Stock Shanghai Inquiry

4546-55-8 / N-[9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide

Standard CAS: 4546-55-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4546-55-8
Multi CAS
Yes
Molecular Formula
C17H17N5O5
Molecular Weight
371.300000
Exact Mass
371.122969
InChI
InChI=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,23-25H,6H2,(H,18,19,21,26)/t10-,12-,13-,17-/m0/s1
InChIKey
NZDWTKFDAUOODA-PYERRIOISA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
4
Molar refractivity
92.73
TPSA
142.62

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.25
XLogP3
-0.1
Consensus LogP
-0.22
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-5.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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