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CAS 66034-17-1 DIPHOSPHORIC ACID COMPD. WITH-PIPERAZINE (1:1) molecular structure lightbox
CAS RN: 66034-17-1

DIPHOSPHORIC ACID COMPD. WITH-PIPERAZINE (1:1)

  • Product code: SSC-175669
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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 66034-17-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

66034-17-1 / phosphono dihydrogen phosphate;piperazine

Standard CAS: 66034-17-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
66034-17-1
Multi CAS
No
Molecular Formula
C4H14N2O7P2
Molecular Weight
264.110000
Exact Mass
264.027625
InChI
InChI=1S/C4H10N2.H4O7P2/c1-2-6-4-3-5-1;1-8(2,3)7-9(4,5)6/h5-6H,1-4H2;(H2,1,2,3)(H2,4,5,6)
InChIKey
MWFNQNPDUTULBC-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
6
Molar refractivity
50.91
TPSA
148.35

LogP / Solubility

WLOGP
-1.63
MLOGP
-1.43
XLogP3
-1.63
Consensus LogP
-1.56
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.49

Drug-likeness / Medicinal Chemistry

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

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