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CAS 20245-85-6 Adefovir Impurity 12 molecular structure lightbox
CAS RN: 20245-85-6

Adefovir Impurity 12

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 10mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-095359
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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: 0.25g
  • 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 20245-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

20245-85-6 / 9-ethenylpurin-6-amine

Standard CAS: 20245-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20245-85-6
Multi CAS
No
Molecular Formula
C7H7N5
Molecular Weight
161.160000
Exact Mass
161.070145
SMILES
C=CN1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C7H7N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h2-4H,1H2,(H2,8,9,10)
InChIKey
FNJZRJBNAIQCGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.12
TPSA
69.62

LogP / Solubility

WLOGP
0.51
MLOGP
0.44
XLogP3
0.6
Consensus LogP
0.52
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

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

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