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CAS 36047-43-5 nonyl dihydrogen phosphate molecular structure lightbox
CAS RN: 36047-43-5

nonyl dihydrogen phosphate

  • Product code: SSC-143141
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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 36047-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

36047-43-5 / nonyl dihydrogen phosphate

Standard CAS: 36047-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36047-43-5
Multi CAS
No
Molecular Formula
C9H21O4P
Molecular Weight
224.230000
Exact Mass
224.117746
InChI
InChI=1S/C9H21O4P/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h2-9H2,1H3,(H2,10,11,12)
InChIKey
WYAKJXQRALMWPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.99
TPSA
66.76

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
2.4
Consensus LogP
2.59
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly 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)
-2.07

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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