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CAS 51549-54-3 N6,3′-O-DIBENZOYL-2′-DEOXYADENOSINE molecular structure lightbox
CAS RN: 51549-54-3

N6,3′-O-DIBENZOYL-2′-DEOXYADENOSINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260623 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-158447
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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: ≥95%
  • 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 51549-54-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

51549-54-3 / [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate

Standard CAS: 51549-54-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51549-54-3
Multi CAS
Yes
Molecular Formula
C24H21N5O5
Molecular Weight
459.500000
Exact Mass
459.154269
InChI
InChI=1S/C24H21N5O5/c30-12-18-17(34-24(32)16-9-5-2-6-10-16)11-19(33-18)29-14-27-20-21(25-13-26-22(20)29)28-23(31)15-7-3-1-4-8-15/h1-10,13-14,17-19,30H,11-12H2,(H,25,26,28,31)/t17-,18+,19+/m0/s1
InChIKey
GRASBJRYLQJMMU-IPMKNSEASA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
2
Molar refractivity
120.98
TPSA
128.46

LogP / Solubility

WLOGP
2.58
MLOGP
2.31
XLogP3
1.9
Consensus LogP
2.26
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble

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)
-3.69

Drug-likeness / Medicinal Chemistry

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

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