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CAS 4121-39-5 NSC 77154 molecular structure lightbox
CAS RN: 4121-39-5

NSC 77154

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 5mg / 25mg / 50mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-149611
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4121-39-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Beijing Inquiry

4121-39-5 / 9-prop-2-enylpurin-6-amine

Standard CAS: 4121-39-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4121-39-5
Multi CAS
Yes
Molecular Formula
C8H9N5
Molecular Weight
175.190000
Exact Mass
175.085795
InChI
InChI=1S/C8H9N5/c1-2-3-13-5-12-6-7(9)10-4-11-8(6)13/h2,4-5H,1,3H2,(H2,9,10,11)
InChIKey
BNNFYJHXSHTFOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
49.93
TPSA
69.62

LogP / Solubility

WLOGP
0.59
MLOGP
0.52
XLogP3
0.7
Consensus LogP
0.6
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.37

Drug-likeness / Medicinal Chemistry

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

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