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CAS 7450-69-3 PHENYLPHOSPHORODIAMIDATE molecular structure lightbox
CAS RN: 7450-69-3

PHENYLPHOSPHORODIAMIDATE

  • Product code: SSC-183952
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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: ≥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 7450-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

7450-69-3 / diaminophosphoryloxybenzene

Standard CAS: 7450-69-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7450-69-3
Multi CAS
Yes
Molecular Formula
C6H9N2O2P
Molecular Weight
172.120000
Exact Mass
172.040165
InChI
InChI=1S/C6H9N2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H4,7,8,9)
InChIKey
AYRRNFHDJUXLEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.05
TPSA
78.34

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
-0.3
Consensus LogP
0.58
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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

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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