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CAS 57500-07-9 6-Benzyloxypurine molecular structure lightbox
CAS RN: 57500-07-9

6-Benzyloxypurine

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250528 1g In stock Inquiry
Batchno.20250404 25g In stock Inquiry
Batchno.20251007 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 1g In stock Shanghai, Shandong Inquiry
Batchno.20250207 5g In stock Shanghai Inquiry
  • Product code: SSC-165674
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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: 5g
  • 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 57500-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

57500-07-9 / 6-phenylmethoxy-7H-purine

Standard CAS: 57500-07-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57500-07-9
Multi CAS
Yes
Molecular Formula
C12H10N4O
Molecular Weight
226.230000
Exact Mass
226.085461
InChI
InChI=1S/C12H10N4O/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)
InChIKey
ZZZXGPGVDJDFCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.46
TPSA
63.69

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
2.1
Consensus LogP
1.91
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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