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CAS 68217-74-3 9-(2-bromoethyl)adenine molecular structure lightbox
CAS RN: 68217-74-3

9-(2-bromoethyl)adenine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260610 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-177943
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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 68217-74-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

68217-74-3 / 9-(2-bromoethyl)purin-6-amine

Standard CAS: 68217-74-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68217-74-3
Multi CAS
Yes
Molecular Formula
BC7H8Rn5
Molecular Weight
242.080000
Exact Mass
240.996310
InChI
InChI=1S/C7H8BrN5/c8-1-2-13-4-12-5-6(9)10-3-11-7(5)13/h3-4H,1-2H2,(H2,9,10,11)
InChIKey
XWQMXSNGFXQZDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
53.53
TPSA
69.62

LogP / Solubility

WLOGP
0.8
MLOGP
0.71
XLogP3
0.6
Consensus LogP
0.7
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-3.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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