[email protected]
CAS 14366-74-6 [4-(BROMOMETHYL)BENZYL]TRIPHENYLPHOSPHONIUM BROMIDE molecular structure lightbox
CAS RN: 14366-74-6

[4-(BROMOMETHYL)BENZYL]TRIPHENYLPHOSPHONIUM BROMIDE

  • Product code: SSC-055042
GET A QUOTE
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
Request Bulk Quote

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 14366-74-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

14366-74-6 / [4-(bromomethyl)phenyl]methyl-triphenylphosphanium bromide

Standard CAS: 14366-74-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14366-74-6
Multi CAS
No
Molecular Formula
C26H23Br2P
Molecular Weight
526.200000
Exact Mass
525.988360
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)CBr)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
InChI
InChI=1S/C26H23BrP.BrH/c27-20-22-16-18-23(19-17-22)21-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;/h1-19H,20-21H2;1H/q+1;/p-1
InChIKey
KUXBEOGHKWNPTG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
24
Fraction Csp3
0.08
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
127.92
TPSA
0.0000

LogP / Solubility

WLOGP
3.08
MLOGP
2.75
XLogP3
3.08
Consensus LogP
2.97
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.74

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us