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CAS 5267-46-9 C-(4-METHOXY-PHENYL)-C-PHENYL-METHYL-AMMONIUM CHLORIDE molecular structure lightbox
CAS RN: 5267-46-9

C-(4-METHOXY-PHENYL)-C-PHENYL-METHYL-AMMONIUM CHLORIDE

  • Product code: SSC-159784
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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: 1g
  • 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 5267-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

5267-46-9 / [(4-methoxyphenyl)-phenylmethyl]azanium chloride

Standard CAS: 5267-46-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5267-46-9
Multi CAS
Yes
Molecular Formula
C14H16CLNO
Molecular Weight
249.730000
Exact Mass
249.092042
InChI
InChI=1S/C14H15NO.ClH/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11;/h2-10,14H,15H2,1H3;1H
InChIKey
NCSHDWNETPLWIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.17
TPSA
36.87

LogP / Solubility

WLOGP
-0.97
MLOGP
-0.85
XLogP3
-0.97
Consensus LogP
-0.93
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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