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CAS 23308-83-0 (2-NITROBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE MONOHYDRATE molecular structure lightbox
CAS RN: 23308-83-0

(2-NITROBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE MONOHYDRATE

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260505 100g Out of stock Inquiry
Batchno.20250213 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250801 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250922 25g Out of stock Inquiry
Batchno.20250725 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-113020
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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: ＞97%
  • 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 23308-83-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

23308-83-0 / (2-nitrophenyl)methyl-triphenylphosphanium bromide

Standard CAS: 23308-83-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23308-83-0
Multi CAS
No
Molecular Formula
C25H21BrNO2P
Molecular Weight
478.300000
Exact Mass
477.049330
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=CC=C2[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
InChI
InChI=1S/C25H21NO2P.BrH/c27-26(28)25-19-11-10-12-21(25)20-29(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H/q+1;/p-1
InChIKey
ATURWXASWONPRT-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
121.95
TPSA
43.14

LogP / Solubility

WLOGP
2.09
MLOGP
1.88
XLogP3
2.09
Consensus LogP
2.02
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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