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CAS 1623-06-9 propyl dihydrogen phosphate molecular structure lightbox
CAS RN: 1623-06-9

propyl dihydrogen phosphate

  • Product code: SSC-069858
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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 1623-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1623-06-9 / propyl dihydrogen phosphate

Standard CAS: 1623-06-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1623-06-9
Multi CAS
No
Molecular Formula
C3H9O4P
Molecular Weight
140.070000
Exact Mass
140.023846
SMILES
CCCOP(=O)(O)O
InChI
InChI=1S/C3H9O4P/c1-2-3-7-8(4,5)6/h2-3H2,1H3,(H2,4,5,6)
InChIKey
MHZDONKZSXBOGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.29
TPSA
66.76

LogP / Solubility

WLOGP
0.51
MLOGP
0.44
XLogP3
-0.7
Consensus LogP
0.08
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-3.22

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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