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CAS 2767-70-6 (4-Nitrobenzyl)triphenylphosphonium Bromide molecular structure lightbox
CAS RN: 2767-70-6

(4-Nitrobenzyl)triphenylphosphonium Bromide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260208 100g In stock Tianjin Inquiry
Batchno.20260625 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250825 25g In stock Shanghai Inquiry
Batchno.20260219 5g In stock Shanghai Inquiry
  • Product code: SSC-127824
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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: 100g
  • 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 2767-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

2767-70-6 / (4-nitrophenyl)methyl-triphenylphosphanium bromide

Standard CAS: 2767-70-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2767-70-6
Multi CAS
Yes
Molecular Formula
C25H21BrNO2P
Molecular Weight
478.300000
Exact Mass
477.049330
InChI
InChI=1S/C25H21NO2P.BrH/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
InChIKey
IPJPTPFIJLFWLP-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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