[email protected]
CAS 58201-66-4 (BROMODIFLUOROMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE molecular structure lightbox
CAS RN: 58201-66-4

(BROMODIFLUOROMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE

  • Product code: SSC-166454
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 10g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 58201-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
10g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry

58201-66-4 / [bromo(difluoro)methyl]-triphenylphosphanium bromide

Standard CAS: 58201-66-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58201-66-4
Multi CAS
Yes
Molecular Formula
C19H15BR2F2P
Molecular Weight
472.100000
Exact Mass
471.922570
InChI
InChI=1S/C19H15BrF2P.BrH/c20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1
InChIKey
LLFPAYWKPAHZHA-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
99.02
TPSA
0.0000

LogP / Solubility

WLOGP
1.93
MLOGP
1.73
XLogP3
1.93
Consensus LogP
1.86
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.23

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
2.5

Customers Also Viewed

Get In Touch

Contact Us