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CAS 3462-97-3 (4-METHOXYBENZYL)TRIPHENYLPHOSPHONIUM CHLORIDE molecular structure lightbox
CAS RN: 3462-97-3

(4-METHOXYBENZYL)TRIPHENYLPHOSPHONIUM CHLORIDE

  • Product code: SSC-141156
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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: ≥95%
  • 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 3462-97-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

3462-97-3 / (4-methoxyphenyl)methyl-triphenylphosphanium chloride

Standard CAS: 3462-97-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3462-97-3
Multi CAS
Yes
Molecular Formula
C26H24CLOP
Molecular Weight
418.900000
Exact Mass
418.125330
InChI
InChI=1S/C26H24OP.ClH/c1-27-23-19-17-22(18-20-23)21-28(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChIKey
YQXBNCFNXOFWLR-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
121.85
TPSA
9.23

LogP / Solubility

WLOGP
2.19
MLOGP
1.96
XLogP3
2.19
Consensus LogP
2.11
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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)
-3.72

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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