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CAS 3871-20-3 Tris(4-nitrophenyl) Phosphate molecular structure lightbox
CAS RN: 3871-20-3

Tris(4-nitrophenyl) Phosphate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250228 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing, Guangdong Inquiry
  • Product code: SSC-146333
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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: 25g
  • Available purity: ≥98%
  • 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 3871-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

3871-20-3 / tris(4-nitrophenyl) phosphate

Standard CAS: 3871-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3871-20-3
Multi CAS
No
Molecular Formula
C18H12N3O10P
Molecular Weight
461.300000
Exact Mass
461.026031
InChI
InChI=1S/C18H12N3O10P/c22-19(23)13-1-7-16(8-2-13)29-32(28,30-17-9-3-14(4-10-17)20(24)25)31-18-11-5-15(6-12-18)21(26)27/h1-12H
InChIKey
RZSPPBDBWOJRII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Rotatable bonds
9
H-bond acceptors
10
Molar refractivity
108.78
TPSA
174.18

LogP / Solubility

WLOGP
5.06
MLOGP
4.48
XLogP3
4.1
Consensus LogP
4.55
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.94

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
2.5

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