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CAS 63368-36-5 (2-METHYLBENZYL)TRIPHENYLPHOSPHONIUM CHLORIDE molecular structure lightbox
CAS RN: 63368-36-5

(2-METHYLBENZYL)TRIPHENYLPHOSPHONIUM CHLORIDE

  • Product code: SSC-173020
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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: 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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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 63368-36-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 2 In Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

63368-36-5 / (2-methylphenyl)methyl-triphenylphosphanium chloride

Standard CAS: 63368-36-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63368-36-5
Multi CAS
Yes
Molecular Formula
C26H24CLP
Molecular Weight
402.900000
Exact Mass
402.130416
InChI
InChI=1S/C26H24P.ClH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChIKey
RDHRQYBAQXBTNT-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
120.03
TPSA
0.0000

LogP / Solubility

WLOGP
2.49
MLOGP
2.22
XLogP3
2.49
Consensus LogP
2.4
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
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)
-3.41

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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