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CAS 4195-25-9 2-AMINO-4′-BENZYLOXYACETOPHENONE HYDROCHLORIDE molecular structure lightbox
CAS RN: 4195-25-9

2-AMINO-4′-BENZYLOXYACETOPHENONE HYDROCHLORIDE

  • Product code: SSC-150274
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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 4195-25-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

4195-25-9 / 2-amino-1-(4-phenylmethoxyphenyl)ethanone;hydrochloride

Standard CAS: 4195-25-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4195-25-9
Multi CAS
No
Molecular Formula
C15H16CLNO2
Molecular Weight
277.740000
Exact Mass
277.086956
InChI
InChI=1S/C15H15NO2.ClH/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12;/h1-9H,10-11,16H2;1H
InChIKey
ZJSLZDNYWMHWKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.85
TPSA
52.32

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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