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CAS 25477-96-7 ETHYL ADENINE-9-ACETATE molecular structure lightbox
CAS RN: 25477-96-7

ETHYL ADENINE-9-ACETATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250519 50mg / 250mg / 1g / 5g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-121445
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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 25477-96-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

25477-96-7 / ethyl 2-(6-aminopurin-9-yl)acetate

Standard CAS: 25477-96-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25477-96-7
Multi CAS
No
Molecular Formula
C9H11N5O2
Molecular Weight
221.220000
Exact Mass
221.091275
SMILES
CCOC(=O)CN1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C9H11N5O2/c1-2-16-6(15)3-14-5-13-7-8(10)11-4-12-9(7)14/h4-5H,2-3H2,1H3,(H2,10,11,12)
InChIKey
MCOVDURKZQNFBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
56.37
TPSA
95.92

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.02
XLogP3
0.3
Consensus LogP
0.08
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.09

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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