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CAS 85079-00-1 N6-Benzoyl-2′-O-Methyl-adenosine molecular structure lightbox
CAS RN: 85079-00-1

N6-Benzoyl-2′-O-Methyl-adenosine

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250209 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250605 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260406 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260319 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260621 25g In stock Shanghai Inquiry
Batchno.20250613 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-193105
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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: 1g
  • 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 85079-00-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

85079-00-1 / N-[9-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]benzamide

Standard CAS: 85079-00-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85079-00-1
Multi CAS
Yes
Molecular Formula
C18H19N5O5
Molecular Weight
385.400000
Exact Mass
385.138619
InChI
InChI=1S/C18H19N5O5/c1-27-14-13(25)11(7-24)28-18(14)23-9-21-12-15(19-8-20-16(12)23)22-17(26)10-5-3-2-4-6-10/h2-6,8-9,11,13-14,18,24-25H,7H2,1H3,(H,19,20,22,26)/t11-,13-,14-,18-/m1/s1
InChIKey
PHFHSPQCDRKMQJ-XWXWGSFUSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
3
Molar refractivity
97.52
TPSA
131.62

LogP / Solubility

WLOGP
0.34
MLOGP
0.33
XLogP3
0.4
Consensus LogP
0.36
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-4.83

Drug-likeness / Medicinal Chemistry

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

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