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CAS 63-45-6 Primaquine diphosphate molecular structure lightbox
CAS RN: 63-45-6

Primaquine diphosphate

  • Product code: SSC-172455
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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: ≥97%
  • 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 63-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

63-45-6 / 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid

Standard CAS: 63-45-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63-45-6
Multi CAS
Yes
Molecular Formula
C15H27N3O9P2
Molecular Weight
455.340000
Exact Mass
455.122253
InChI
InChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)
InChIKey
GJOHLWZHWQUKAU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
8
Molar refractivity
108.19
TPSA
215.69

LogP / Solubility

WLOGP
0.93
MLOGP
0.85
XLogP3
0.93
Consensus LogP
0.9
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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